data_2lvq_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 2lvq _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 110.168 -0.308 . . . . 10.0 110.168 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -120.25 141.73 49.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.553 0.216 . . . . 10.0 110.933 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.1 pt -126.64 155.02 37.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.496 -0.557 . . . . 10.0 109.496 178.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.442 ' O ' ' HA ' ' A' ' 66' ' ' THR . 93.2 m-85 -115.2 122.41 45.95 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.731 0.3 . . . . 10.0 111.075 -179.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.8 t -110.05 125.1 67.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 178.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.9 tttp -111.26 130.52 55.63 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.883 0.373 . . . . 10.0 111.292 -178.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.36 173.12 8.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.627 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 mt -64.26 -24.0 67.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.221 0.534 . . . . 10.0 111.221 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.32 -3.61 46.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.96 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.93 -17.06 60.03 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.763 -0.732 . . . . 10.0 111.536 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.0 tttp -57.7 135.11 56.71 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 122.961 0.504 . . . . 10.0 110.568 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -127.41 125.92 41.5 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.711 0.291 . . . . 10.0 110.627 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.6 pt -116.21 148.18 19.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.997 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -104.28 125.56 50.64 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.422 -0.585 . . . . 10.0 109.422 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -115.76 135.06 54.39 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.953 0.406 . . . . 10.0 111.712 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -85.3 113.52 21.69 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.413 -0.812 . . . . 10.0 109.369 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.9 m -142.66 176.18 3.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.099 0.476 . . . . 10.0 111.425 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.504 ' O ' HD11 ' A' ' 56' ' ' LEU . 40.3 mm-40 -134.64 157.78 76.51 Favored Pre-proline 0 C--N 1.321 -0.669 0 N-CA-C 108.604 -0.887 . . . . 10.0 108.604 179.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -50.72 -36.33 50.87 Favored 'Trans proline' 0 CA--C 1.533 0.445 0 C-N-CA 122.324 2.016 . . . . 10.0 112.545 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.88 -6.52 47.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.75 -0.659 . . . . 10.0 112.482 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.53 139.83 45.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.788 0.328 . . . . 10.0 110.128 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.432 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -91.29 148.05 22.61 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.963 -179.388 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 51.5 mm -57.42 -38.86 65.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.989 0.423 . . . . 10.0 110.298 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.461 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 35.4 tt0 -62.87 -34.91 78.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.22 178.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.472 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 54.7 t30 -75.27 -38.94 60.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.205 -0.452 . . . . 10.0 109.793 179.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 22' ' ' THR . 96.6 t -63.18 -45.28 98.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.682 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 14.8 ptmt -66.53 -28.07 68.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.98 0.419 . . . . 10.0 110.443 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.08 -33.09 73.89 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.589 -0.523 . . . . 10.0 109.589 178.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 67.8 mttt -66.64 -41.55 88.12 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.291 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 31.2 mt -66.84 -32.16 56.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.375 0.607 . . . . 10.0 109.63 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -64.56 -34.71 78.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.321 -0.854 . . . . 10.0 110.74 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -88.74 -32.0 18.14 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.488 -0.323 . . . . 10.0 111.681 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -80.01 -47.93 14.14 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.394 0.516 . . . . 10.0 112.394 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -98.76 -21.41 16.39 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.909 0.337 . . . . 10.0 111.909 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.1 14.52 64.29 Favored Glycine 0 CA--C 1.517 0.172 0 C-N-CA 120.677 -0.773 . . . . 10.0 113.113 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.1 mt -87.79 120.9 71.05 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 122.847 -0.208 . . . . 10.0 110.772 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.06 138.31 85.29 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.721 2.281 . . . . 10.0 112.535 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_exo -60.33 -23.16 73.67 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.898 2.398 . . . . 10.0 112.487 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -69.1 -19.53 64.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.951 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.464 ' O ' ' HA ' ' A' ' 71' ' ' LEU . 85.6 mt-30 -114.16 10.69 17.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.064 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -98.1 106.54 18.84 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.013 0.435 . . . . 10.0 111.532 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -109.53 103.74 12.67 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.8 mt -91.82 118.24 30.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.982 0.42 . . . . 10.0 111.407 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mp -115.04 133.49 61.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.339 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -134.88 121.46 20.62 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.581 -0.526 . . . . 10.0 109.581 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.97 33.43 19.78 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.616 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.25 -21.84 15.15 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.901 -0.666 . . . . 10.0 112.92 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -94.2 147.44 23.17 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.258 -0.275 . . . . 10.0 110.258 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -92.66 137.06 32.69 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.709 -0.478 . . . . 10.0 109.709 179.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.452 HD23 ' CD2' ' A' ' 59' ' ' TYR . 18.7 mt -88.89 144.66 26.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.479 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.407 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 40.2 mt-10 -91.22 151.76 20.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.004 -0.369 . . . . 10.0 110.004 179.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.9 -50.71 72.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.047 -0.524 . . . . 10.0 112.234 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.16 49.67 4.03 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 121.074 -0.584 . . . . 10.0 113.925 -178.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.418 ' HG3' ' OH ' ' A' ' 59' ' ' TYR . 21.9 mmt180 -138.82 156.9 46.95 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.724 -0.473 . . . . 10.0 109.724 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.516 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 45.4 p -98.06 171.73 8.07 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.919 -0.401 . . . . 10.0 109.919 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.504 HD11 ' O ' ' A' ' 18' ' ' GLU . 81.7 mt -70.05 -31.49 69.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.881 0.372 . . . . 10.0 110.35 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -21.67 60.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.367 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.516 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.7 OUTLIER -60.52 -30.91 70.04 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.947 179.693 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.452 ' CD2' HD23 ' A' ' 50' ' ' LEU . 74.8 m-85 -111.9 8.51 20.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.356 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 57.8 t30 57.81 43.14 22.25 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.406 -0.816 . . . . 10.0 111.645 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 76.4 mt -77.81 119.05 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.481 -0.563 . . . . 10.0 109.481 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -91.95 174.83 7.13 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.663 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -68.29 151.79 46.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.294 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 64.29 30.68 13.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.687 -0.688 . . . . 10.0 111.827 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.2 m -92.22 143.94 25.91 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.77 -0.456 . . . . 10.0 109.77 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 1.7 m -99.31 124.05 44.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.067 0.461 . . . . 10.0 111.482 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -110.9 142.55 42.82 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.222 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -98.66 124.82 43.71 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.765 0.317 . . . . 10.0 110.492 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.0 tp -106.13 108.78 20.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.141 0.496 . . . . 10.0 111.263 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.5 t -103.86 139.1 25.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.8 -0.637 . . . . 10.0 109.289 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.464 ' HA ' ' O ' ' A' ' 40' ' ' GLN . 55.1 mt . . . . . 0 C--N 1.324 -0.5 0 CA-C-O 121.159 0.504 . . . . 10.0 111.212 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ptt? . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 109.921 -0.4 . . . . 10.0 109.921 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -110.59 138.47 46.93 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.42 -0.512 . . . . 10.0 110.703 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 30.2 pt -121.23 168.35 13.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.903 -0.589 . . . . 10.0 109.944 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -124.89 118.63 26.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.199 0.523 . . . . 10.0 111.542 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 43.7 t -98.01 122.56 49.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.663 -0.699 . . . . 10.0 109.472 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -101.34 125.65 48.0 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.157 0.503 . . . . 10.0 111.006 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.44 157.58 16.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.508 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 47.9 mt -61.66 -18.17 58.43 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.003 0.371 . . . . 10.0 112.003 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.53 -4.42 59.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.814 0.34 . . . . 10.0 111.5 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.56 10.02 59.56 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.972 -0.632 . . . . 10.0 112.027 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 24.3 tttp -83.42 139.5 32.93 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.359 -0.237 . . . . 10.0 110.359 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -116.37 114.32 24.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.475 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 7.9 mt -103.18 130.67 53.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.526 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.4 m -98.42 127.2 44.25 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.823 -0.436 . . . . 10.0 109.823 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 33.2 mt -126.23 134.07 51.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.811 0.339 . . . . 10.0 111.302 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -95.02 109.42 21.45 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.785 -0.82 . . . . 10.0 108.785 178.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.432 HG11 ' NZ ' ' B' ' 29' ' ' LYS . 30.4 m -136.22 -179.93 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.035 -0.53 . . . . 10.0 111.301 -178.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -127.46 155.21 77.08 Favored Pre-proline 0 C--N 1.317 -0.809 0 N-CA-C 109.01 -0.737 . . . . 10.0 109.01 178.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -56.6 -23.87 50.94 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.49 2.127 . . . . 10.0 112.566 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -85.47 6.04 28.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.036 -0.529 . . . . 10.0 112.009 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -83.19 153.22 24.86 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 120.863 0.363 . . . . 10.0 110.402 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.421 ' O ' HG21 ' B' ' 26' ' ' VAL . 4.2 p -94.86 151.71 18.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.348 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 40.8 mm -59.43 -36.64 65.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.226 0.536 . . . . 10.0 110.168 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -42.7 99.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.617 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -68.52 -38.25 80.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.841 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.43 ' O ' HG13 ' B' ' 30' ' ' ILE . 98.3 t -59.44 -44.94 93.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.888 0.375 . . . . 10.0 110.25 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -67.82 -31.16 70.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.792 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.77 -34.12 76.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.146 0.498 . . . . 10.0 109.791 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.432 ' NZ ' HG11 ' B' ' 17' ' ' VAL . 98.1 mttt -69.85 -32.27 70.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.004 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.43 HG13 ' O ' ' B' ' 26' ' ' VAL . 56.9 mt -69.51 -31.07 47.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -71.84 -24.42 61.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.916 -0.584 . . . . 10.0 109.613 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -77.65 -31.23 52.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.545 -0.752 . . . . 10.0 110.846 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 69.2 mttt -95.58 -45.13 7.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.449 -0.341 . . . . 10.0 111.804 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -96.16 -51.4 4.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.793 0.33 . . . . 10.0 111.534 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.61 -6.49 26.2 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.584 -0.817 . . . . 10.0 112.395 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 26.5 mt -63.95 128.19 92.66 Favored Pre-proline 0 C--N 1.327 -0.394 0 N-CA-C 110.689 -0.115 . . . . 10.0 110.689 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -61.59 131.38 35.49 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.5 2.133 . . . . 10.0 111.797 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.16 -22.31 55.84 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.011 2.474 . . . . 10.0 112.975 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -66.79 -33.42 75.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.3 0.571 . . . . 10.0 110.814 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -98.07 6.77 47.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.549 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -103.22 109.64 21.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.428 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -104.45 107.65 18.69 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.179 -0.674 . . . . 10.0 109.179 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 18.1 mt -84.79 119.85 25.77 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.078 0.466 . . . . 10.0 110.911 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -115.37 142.68 27.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.512 -0.767 . . . . 10.0 109.432 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -132.43 110.79 10.77 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.044 -0.525 . . . . 10.0 109.718 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.0 27.57 16.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.732 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.17 -12.74 62.02 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.832 -0.699 . . . . 10.0 113.38 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.5 143.32 28.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 117.011 0.406 . . . . 10.0 109.982 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -86.26 135.54 33.51 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.32 -0.252 . . . . 10.0 110.32 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 27.3 mt -91.27 120.11 31.89 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.99 -0.374 . . . . 10.0 109.99 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.462 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 28.0 mt-10 -68.64 136.96 53.78 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 179.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -54.36 -42.44 70.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.987 -0.552 . . . . 10.0 112.041 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.05 53.89 4.24 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.817 -0.706 . . . . 10.0 113.21 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.462 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 31.2 mmt180 -141.4 174.04 10.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.778 0.289 . . . . 10.0 110.293 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 41.1 p -115.15 172.69 6.92 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.551 -0.537 . . . . 10.0 109.551 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 84.1 mt -69.8 -30.6 68.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.985 0.422 . . . . 10.0 110.477 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.51 -20.77 64.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.909 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -70.37 -32.74 70.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.765 0.317 . . . . 10.0 111.713 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -109.59 12.24 24.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.471 -0.331 . . . . 10.0 110.771 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 60.68 31.82 20.2 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.627 -0.715 . . . . 10.0 111.592 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 66.0 mt -72.15 112.98 8.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.06 0.457 . . . . 10.0 109.93 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -97.82 -167.48 1.53 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.62 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.5 155.78 33.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.814 0.34 . . . . 10.0 110.957 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 59.26 17.99 6.23 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.595 -0.729 . . . . 10.0 112.833 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 10.6 m -78.89 148.17 32.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.597 0.237 . . . . 10.0 110.467 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 18.0 m -88.68 119.13 28.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.131 0.491 . . . . 10.0 111.358 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -102.08 124.47 47.74 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.279 -0.638 . . . . 10.0 109.279 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.438 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 29.5 m80 -89.04 124.5 34.34 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.574 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 36.9 tp -100.12 107.37 19.24 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.873 0.368 . . . . 10.0 110.433 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 70.6 t -101.13 140.45 19.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.517 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 12.2 mt -100.28 165.62 11.38 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.863 -0.421 . . . . 10.0 109.863 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.551 ' HG3' ' OD1' ' D' ' 491' ' ' ASP . 14.6 ttt180 . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 116.714 -0.221 . . . . 10.0 110.691 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 121.059 0.457 . . . . 10.0 111.124 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -69.0 -34.18 74.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.805 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 97.7 mt -63.87 -46.58 84.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.543 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -63.53 -42.78 98.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.822 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.23 -40.39 93.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.547 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 74.3 mtm -72.99 -41.17 64.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.817 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.61 -45.09 91.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.945 -0.57 . . . . 10.0 111.221 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -58.73 -36.14 73.83 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.605 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 463' ' ' GLN . . . . . 0.496 ' O ' ' HG2' ' D' ' 467' ' ' MET . 24.5 tp60 -61.59 -42.08 98.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.196 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 74.6 mt -72.44 -32.53 42.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.149 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 38.5 tp60 -61.24 -30.6 70.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.202 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -76.32 -29.68 57.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.938 -0.573 . . . . 10.0 110.287 178.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 467' ' ' MET . . . . . 0.496 ' HG2' ' O ' ' D' ' 463' ' ' GLN . 31.1 mmm -76.36 -44.11 37.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.227 0.537 . . . . 10.0 110.202 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 468' ' ' PHE . . . . . 0.442 ' O ' HG13 ' D' ' 471' ' ' VAL . 5.1 m-85 -116.91 92.55 39.12 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.61 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -78.26 33.48 0.47 Allowed 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.776 2.317 . . . . 10.0 112.369 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -152.71 29.95 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.951 -179.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 471' ' ' VAL . . . . . 0.442 HG13 ' O ' ' D' ' 468' ' ' PHE . 12.8 p -125.43 133.71 25.12 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.384 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 472' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' D' ' 471' ' ' VAL . 53.1 Cg_exo -58.3 119.36 6.57 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.635 2.223 . . . . 10.0 112.237 179.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -53.05 -40.41 63.96 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.449 -0.796 . . . . 10.0 112.681 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 44.9 p-80 -68.62 -27.56 66.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.587 0.232 . . . . 10.0 111.601 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 475' ' ' LEU . . . . . 0.43 ' O ' ' HB3' ' D' ' 478' ' ' GLN . 24.1 mt -77.67 -30.52 52.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.896 0.379 . . . . 10.0 110.0 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 476' ' ' VAL . . . . . 0.403 HG23 ' O ' ' D' ' 472' ' ' PRO . 44.9 t -66.99 -46.75 84.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.461 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . 0.416 ' O ' ' HG3' ' D' ' 481' ' ' GLN . 23.8 mt -63.67 -24.62 67.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.792 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 478' ' ' GLN . . . . . 0.43 ' HB3' ' O ' ' D' ' 475' ' ' LEU . 1.9 tt0 -66.44 -55.74 14.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.985 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -67.17 -29.47 69.17 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.537 -0.302 . . . . 10.0 110.605 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.05 -24.69 66.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.299 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 481' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' D' ' 477' ' ' LEU . 72.8 mt-30 -89.64 -17.38 28.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.036 0.446 . . . . 10.0 110.533 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -92.31 -59.14 2.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.846 -0.616 . . . . 10.0 111.1 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 40.8 p -82.18 -42.93 18.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.732 0.301 . . . . 10.0 110.781 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 15.4 mtt180 63.25 28.32 15.75 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.615 -0.72 . . . . 10.0 110.509 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.44 116.16 6.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.434 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 28.1 m -59.26 -23.51 25.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.641 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -69.1 -23.73 64.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.045 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 9.2 mt -108.48 -33.04 2.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.039 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 41.8 m -59.64 -57.81 11.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.494 -0.321 . . . . 10.0 111.509 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.21 -29.38 69.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.11 0.481 . . . . 10.0 110.729 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 491' ' ' ASP . . . . . 0.551 ' OD1' ' HG3' ' B' ' 72' ' ' ARG . 21.2 t0 -68.77 -49.09 61.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.526 -0.761 . . . . 10.0 109.572 178.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -54.21 -36.67 63.73 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.575 -0.739 . . . . 10.0 111.135 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 67.7 mt -65.92 -46.36 88.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.444 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.22 -36.09 83.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.36 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 495' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' D' ' 491' ' ' ASP . 18.9 mm-40 -67.14 -43.04 83.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.937 0.399 . . . . 10.0 110.817 179.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 124.77 25.14 1.6 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.841 -0.695 . . . . 10.0 112.8 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -82.69 -22.94 34.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.147 0.499 . . . . 10.0 110.09 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 1.5 mp -101.87 142.22 16.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.523 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 . . . . . 0 C--N 1.326 -0.421 0 CA-C-O 120.948 0.404 . . . . 10.0 111.153 -179.729 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.479 0.983 0 N-CA-C 110.01 -0.367 . . . . 10.0 110.01 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -115.45 137.72 51.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.876 0.369 . . . . 10.0 111.343 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.9 pt -124.8 161.07 29.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.958 -0.564 . . . . 10.0 109.826 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -113.88 117.24 30.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.807 0.337 . . . . 10.0 110.658 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 42.1 t -102.41 119.47 50.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.349 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -100.47 131.02 46.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.946 0.403 . . . . 10.0 110.584 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.4 p -99.86 167.47 10.5 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.412 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.83 -16.6 63.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.882 0.373 . . . . 10.0 111.349 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.27 -16.88 38.65 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.134 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.05 -0.82 41.09 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.088 -0.577 . . . . 10.0 112.71 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -79.54 135.29 36.58 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.361 0.264 . . . . 10.0 110.455 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -107.67 123.26 48.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.43 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.1 mt -108.82 137.62 39.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.333 -178.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.43 130.85 47.74 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.704 178.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.0 mt -128.52 138.94 52.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.282 0.563 . . . . 10.0 112.082 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -89.37 100.73 13.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.065 -0.971 . . . . 10.0 108.988 178.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.0 m -132.02 176.5 8.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.02 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.559 ' O ' HD11 ' A' ' 56' ' ' LEU . 7.8 mm-40 -134.52 156.97 78.34 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 108.676 -0.861 . . . . 10.0 108.676 179.144 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.48 -35.86 77.71 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.621 2.214 . . . . 10.0 113.19 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.23 5.47 34.14 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.421 0.526 . . . . 10.0 112.421 -179.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -74.8 141.58 44.32 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 110.016 -0.364 . . . . 10.0 110.016 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.411 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -78.47 142.6 37.37 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.122 -179.362 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.1 mm -56.51 -42.3 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.771 0.319 . . . . 10.0 110.854 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -60.07 -40.59 90.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.438 . . . . 10.0 110.604 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.539 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 65.0 t30 -64.11 -39.28 93.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.907 -0.588 . . . . 10.0 109.848 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 22' ' ' THR . 76.0 t -62.4 -41.97 93.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.018 -0.537 . . . . 10.0 109.661 178.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -61.42 -38.25 86.45 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.034 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.38 -32.62 74.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.627 -0.715 . . . . 10.0 110.694 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.539 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 51.2 mttt -71.18 -34.7 71.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 10.0 109.956 179.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 93.2 mt -66.14 -43.85 91.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.749 179.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -66.18 -30.0 70.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.312 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -67.7 -39.14 84.42 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -86.75 -45.63 10.75 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.0 0.37 . . . . 10.0 112.0 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -87.48 -62.89 1.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.763 0.316 . . . . 10.0 111.638 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.15 -19.76 5.7 Favored Glycine 0 C--O 1.23 -0.117 0 C-N-CA 120.897 -0.668 . . . . 10.0 112.116 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.3 mt -64.78 124.69 87.1 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.751 -0.224 . . . . 10.0 110.591 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -56.79 146.11 79.65 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.795 2.33 . . . . 10.0 112.255 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.04 -20.74 55.26 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.685 2.257 . . . . 10.0 112.298 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.52 -35.23 79.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.027 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -98.73 7.42 46.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.819 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -96.27 102.52 14.32 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.219 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -103.86 100.7 10.49 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.82 -0.437 . . . . 10.0 109.82 178.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.5 mt -88.49 117.28 27.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.887 -0.597 . . . . 10.0 111.001 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mp -116.09 130.5 70.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.509 -0.769 . . . . 10.0 109.6 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -118.79 107.68 13.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.527 -0.306 . . . . 10.0 110.244 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.15 27.18 16.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.653 -0.703 . . . . 10.0 111.537 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.76 -26.85 21.98 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.927 -0.654 . . . . 10.0 112.612 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -86.47 128.79 35.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.543 0.211 . . . . 10.0 110.534 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -77.99 136.87 38.04 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.748 -0.464 . . . . 10.0 109.748 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.4 mt -88.37 130.48 35.14 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.979 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.46 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 83.9 mt-10 -88.87 136.58 32.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.719 179.02 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -60.96 -25.25 66.7 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.118 -0.492 . . . . 10.0 112.271 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.51 14.83 49.37 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.86 -0.686 . . . . 10.0 113.365 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.46 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 14.5 mmt180 -123.36 177.33 5.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.191 0.495 . . . . 10.0 110.334 179.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.461 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 13.4 p -116.08 173.62 6.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.342 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.559 HD11 ' O ' ' A' ' 18' ' ' GLU . 95.9 mt -65.59 -36.44 83.76 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.859 0.361 . . . . 10.0 111.033 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.7 p -65.66 -25.65 67.44 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.932 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.461 ' HB2' ' O ' ' A' ' 55' ' ' THR . 3.4 m-20 -61.74 -30.3 70.68 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.268 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -110.65 14.24 22.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.367 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 60.95 28.96 18.71 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.686 -0.688 . . . . 10.0 111.73 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 77.5 mt -76.8 114.35 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.022 0.439 . . . . 10.0 110.237 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -108.79 -160.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.557 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -77.11 154.75 32.95 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.608 0.242 . . . . 10.0 110.363 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 67.0 15.59 10.18 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.826 -0.624 . . . . 10.0 112.01 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.8 m -81.73 150.63 27.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.576 0.227 . . . . 10.0 110.433 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 35.7 m -105.15 120.18 40.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.155 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.7 mp -106.83 129.17 54.72 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.388 -0.597 . . . . 10.0 109.388 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -94.13 123.8 37.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.689 0.28 . . . . 10.0 110.457 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.5 tp -105.9 109.54 21.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.236 0.541 . . . . 10.0 111.17 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 68.8 t -100.26 138.73 23.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.621 -0.718 . . . . 10.0 109.731 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 67.9 mt . . . . . 0 C--N 1.324 -0.533 0 CA-C-O 120.979 0.419 . . . . 10.0 110.891 -179.529 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.471 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 25.6 ptt? . . . . . 0 N--CA 1.479 0.979 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -97.76 129.91 44.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.899 0.381 . . . . 10.0 111.414 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 20.4 pt -127.74 161.92 34.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.966 -0.561 . . . . 10.0 109.702 178.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -118.83 128.87 54.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.957 0.408 . . . . 10.0 111.035 -179.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 39.9 t -110.84 125.92 68.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.178 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 27.2 mttt -98.29 135.03 40.49 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.587 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.1 p -105.07 170.57 7.79 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.429 -0.35 . . . . 10.0 110.262 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 92.5 mt -74.21 -10.93 60.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.255 -0.43 . . . . 10.0 111.742 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -93.8 -12.0 30.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.887 0.375 . . . . 10.0 111.001 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.98 -9.2 46.67 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.969 -0.634 . . . . 10.0 112.532 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.416 ' HZ3' ' CD ' ' B' ' 34' ' ' GLU . 86.9 tttt -73.87 141.35 46.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.721 0.296 . . . . 10.0 110.519 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.6 m -111.86 123.28 49.9 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.1 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 24.3 mt -100.07 135.01 37.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.557 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p -99.45 125.46 45.18 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.945 -0.391 . . . . 10.0 109.945 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 74.7 mt -126.31 134.34 51.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.104 0.478 . . . . 10.0 111.08 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -107.38 89.04 2.88 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.628 -0.715 . . . . 10.0 109.218 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.471 ' O ' ' HG2' ' B' ' 1' ' ' MET . 10.7 m -123.19 164.77 20.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.65 -178.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -106.14 155.89 37.74 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.178 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.44 -28.87 46.29 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 122.798 2.332 . . . . 10.0 113.298 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.74 -4.7 47.63 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.463 0.542 . . . . 10.0 112.463 -179.001 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -72.04 150.35 44.06 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.245 0.545 . . . . 10.0 111.064 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.424 ' O ' HG21 ' B' ' 26' ' ' VAL . 0.2 OUTLIER -96.2 147.85 23.33 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.727 -0.669 . . . . 10.0 110.625 -179.477 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.446 HG12 ' O ' ' B' ' 54' ' ' ARG . 51.9 mm -55.56 -45.25 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 116.603 -0.271 . . . . 10.0 111.501 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -59.31 -42.87 92.36 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.896 0.379 . . . . 10.0 110.656 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.45 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 61.8 t30 -63.86 -37.52 87.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.282 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.424 HG21 ' O ' ' B' ' 22' ' ' THR . 83.1 t -64.3 -44.72 97.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.199 179.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.42 ' HZ2' ' CG ' ' B' ' 52' ' ' ASP . 28.8 mtmt -62.66 -37.16 85.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.578 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.43 -37.2 80.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.596 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 36.0 mttt -69.38 -38.03 77.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.11 179.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 78.0 mt -66.16 -34.76 72.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 109.3 -0.629 . . . . 10.0 109.3 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.408 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 37.2 tt0 -66.73 -31.05 71.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.285 -0.87 . . . . 10.0 109.826 178.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -76.31 -30.33 57.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.844 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -84.28 -67.03 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.879 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.416 ' CD ' ' HZ3' ' B' ' 11' ' ' LYS . 55.5 mm-40 -77.32 -37.11 53.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.425 . . . . 10.0 112.1 -178.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.408 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 95.26 36.08 5.54 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.43 -0.891 . . . . 10.0 111.738 -178.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 53.1 mt -111.21 120.23 43.58 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 110.059 -0.349 . . . . 10.0 110.059 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.54 140.54 64.67 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.828 2.352 . . . . 10.0 112.358 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.61 -21.57 31.88 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 123.13 2.553 . . . . 10.0 113.163 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.35 -36.9 79.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.656 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -90.76 1.06 57.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.989 -178.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -95.21 110.67 22.61 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.363 -0.381 . . . . 10.0 110.786 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.421 HH12 ' HG2' ' D' ' 495' ' ' GLU . 0.0 OUTLIER -116.45 91.07 3.48 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 178.826 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 21.1 mt -78.63 127.85 32.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.952 -0.567 . . . . 10.0 111.52 -178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mp -122.7 139.28 50.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.475 -0.784 . . . . 10.0 110.013 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -134.54 122.3 22.2 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.21 20.88 12.54 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.482 0.489 . . . . 10.0 111.544 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.3 2.25 64.02 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.846 -0.692 . . . . 10.0 113.07 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -118.85 145.8 45.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.146 0.473 . . . . 10.0 110.503 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.88 143.4 39.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.997 0.427 . . . . 10.0 111.28 -179.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 46.6 mt -93.36 119.21 32.21 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.396 -0.82 . . . . 10.0 109.202 178.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.489 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 2.2 mt-10 -74.34 135.68 42.5 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.792 -0.447 . . . . 10.0 109.792 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.42 ' CG ' ' HZ2' ' B' ' 27' ' ' LYS . 1.4 m-20 -52.36 -38.97 60.13 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.245 0.832 . . . . 10.0 113.245 -178.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.15 22.07 7.49 Favored Glycine 0 CA--C 1.521 0.41 0 C-N-CA 120.879 -0.677 . . . . 10.0 114.652 -178.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.489 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 23.2 mmt180 -117.02 167.22 11.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 117.832 0.816 . . . . 10.0 110.372 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.549 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 32.0 p -107.02 173.77 6.18 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.051 179.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 79.3 mt -67.39 -35.68 79.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.129 0.49 . . . . 10.0 110.33 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 13.7 m -70.56 -19.63 62.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.689 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.549 ' HB2' ' O ' ' B' ' 55' ' ' THR . 0.6 OUTLIER -61.52 -31.57 71.58 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.573 179.725 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -110.05 11.76 23.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.404 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 58.23 39.11 26.11 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.371 -0.831 . . . . 10.0 111.622 179.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 70.9 mt -77.47 127.19 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.582 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -108.09 -174.21 2.47 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.719 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -74.49 155.11 38.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.747 0.308 . . . . 10.0 110.77 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 64.72 16.32 10.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.427 -0.806 . . . . 10.0 112.149 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 23.5 m -81.68 153.24 26.71 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.104 -0.332 . . . . 10.0 110.104 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.8 m -102.04 123.21 45.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.787 0.327 . . . . 10.0 111.251 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 mp -109.61 137.22 47.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.079 -0.51 . . . . 10.0 109.655 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.529 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 51.4 m80 -95.72 125.5 40.34 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.793 0.33 . . . . 10.0 110.992 -179.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 68.3 tp -107.35 103.59 12.99 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.878 0.371 . . . . 10.0 110.205 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 28.3 t -93.63 136.16 26.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.064 -0.517 . . . . 10.0 110.207 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.443 ' O ' ' HB2' ' D' ' 491' ' ' ASP . 75.2 mt -93.78 146.81 23.6 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 179.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.525 ' HG3' ' OD2' ' D' ' 491' ' ' ASP . 48.6 ttt-85 . . . . . 0 C--N 1.322 -0.599 0 CA-C-O 120.969 0.414 . . . . 10.0 110.539 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 120.9 0.381 . . . . 10.0 110.457 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -65.01 -36.82 85.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.372 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 51.7 mt -69.19 -43.38 74.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.961 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -65.21 -41.85 94.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.417 . . . . 10.0 110.528 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -65.14 -40.79 94.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.565 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 3.4 mtm -64.33 -43.35 94.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.755 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -59.35 -36.95 76.67 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.222 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -59.57 -36.68 76.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.698 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 463' ' ' GLN . . . . . 0.493 ' O ' ' HG2' ' D' ' 467' ' ' MET . 30.2 tp60 -64.69 -39.3 93.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.385 -0.37 . . . . 10.0 110.096 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 55.5 mt -66.25 -37.92 80.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.453 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -61.82 -26.89 68.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.628 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -83.72 -14.42 51.68 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.981 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 467' ' ' MET . . . . . 0.529 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 74.4 mmm -96.59 -42.0 8.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.351 0.596 . . . . 10.0 109.924 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 468' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -122.99 91.32 49.93 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.843 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -81.35 30.69 0.52 Allowed 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.799 2.333 . . . . 10.0 111.735 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -133.57 14.12 4.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.168 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 471' ' ' VAL . . . . . . . . . . . . . 7.9 p -123.83 129.29 24.85 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.176 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 472' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -57.15 126.9 23.62 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.639 2.226 . . . . 10.0 112.09 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -55.29 -36.89 66.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.546 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -66.44 -22.14 66.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.487 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 21.3 mt -86.38 -30.37 22.19 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 45.8 t -68.42 -47.28 78.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.464 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . 0.488 ' O ' ' HG3' ' D' ' 481' ' ' GLN . 78.3 mt -60.77 -26.97 67.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.641 -0.709 . . . . 10.0 110.939 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -63.43 -57.9 8.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.476 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -70.41 -29.39 66.0 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.654 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -26.02 66.27 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.839 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 481' ' ' GLN . . . . . 0.488 ' HG3' ' O ' ' D' ' 477' ' ' LEU . 77.5 mt-30 -85.29 -17.35 37.16 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.792 0.329 . . . . 10.0 110.586 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -94.31 -61.18 1.57 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.06 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 5.2 p -76.94 -39.33 51.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.46 -0.336 . . . . 10.0 111.024 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 57.14 38.1 28.83 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.779 -0.646 . . . . 10.0 111.404 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 4.0 t -158.63 109.16 2.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.063 -0.517 . . . . 10.0 109.759 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 10.0 m -53.25 -31.4 18.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 111.831 0.308 . . . . 10.0 111.831 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -63.65 -26.32 68.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.428 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 21.6 mt -104.85 -34.67 3.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.061 0.458 . . . . 10.0 110.455 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 15.9 m -65.77 -50.44 64.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.569 -0.741 . . . . 10.0 112.167 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 2.1 m -61.73 -38.69 88.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.049 0.452 . . . . 10.0 110.577 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 491' ' ' ASP . . . . . 0.525 ' OD2' ' HG3' ' B' ' 72' ' ' ARG . 35.0 t70 -72.39 -29.09 63.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.194 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -56.84 -27.91 60.87 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.846 178.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 10.9 mt -81.99 -25.51 9.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.239 0.542 . . . . 10.0 110.331 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 19.7 mt -89.56 -1.58 58.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.108 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 495' ' ' GLU . . . . . 0.421 ' HG2' HH12 ' B' ' 42' ' ' ARG . 15.8 mm-40 -121.36 -156.29 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.248 -0.887 . . . . 10.0 109.265 179.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . -104.83 94.23 1.0 Allowed Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.253 -0.975 . . . . 10.0 111.864 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 2.1 tpp85 -148.2 -66.06 0.25 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.728 0.299 . . . . 10.0 110.844 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 2.6 mt -97.77 139.71 19.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.697 -0.483 . . . . 10.0 109.697 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 . . . . . 0 C--N 1.326 -0.446 0 CA-C-O 120.797 0.332 . . . . 10.0 110.887 -179.925 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.443 ' HB2' ' HB3' ' A' ' 63' ' ' LYS . 23.6 ptt? . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.698 0.285 . . . . 10.0 110.413 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -107.22 134.05 50.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.512 -0.313 . . . . 10.0 110.671 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.0 pt -119.28 156.89 21.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.067 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -116.3 117.93 31.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.932 0.396 . . . . 10.0 110.856 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.8 t -100.77 119.12 48.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.235 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 41.8 mmtt -97.68 117.58 32.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.992 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.81 161.37 19.96 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 98.1 mt -61.51 -19.75 62.43 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.921 0.391 . . . . 10.0 111.556 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.27 -10.92 58.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.108 0.48 . . . . 10.0 110.912 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.14 -10.72 55.14 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.994 -0.622 . . . . 10.0 112.075 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.86 134.03 56.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.909 0.385 . . . . 10.0 111.274 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m -111.56 111.2 22.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.729 -0.668 . . . . 10.0 110.003 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.9 mt -101.75 131.03 50.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.914 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 m -97.19 123.32 40.93 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.658 -0.497 . . . . 10.0 109.658 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.7 mt -122.58 142.88 50.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.018 0.437 . . . . 10.0 111.606 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -93.48 113.01 25.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.547 -0.751 . . . . 10.0 109.348 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.428 ' O ' ' HG2' ' A' ' 1' ' ' MET . 19.7 m -140.54 159.48 24.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.913 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -112.74 153.75 44.99 Favored Pre-proline 0 C--N 1.315 -0.931 0 N-CA-C 108.588 -0.893 . . . . 10.0 108.588 178.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.92 -28.81 50.81 Favored 'Trans proline' 0 CA--C 1.53 0.287 0 C-N-CA 122.139 1.892 . . . . 10.0 113.101 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 p -81.13 -0.13 38.78 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -78.44 145.53 35.0 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 120.86 0.362 . . . . 10.0 110.502 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -90.83 148.0 22.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.839 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.7 mm -57.31 -36.16 51.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.971 0.415 . . . . 10.0 110.577 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -59.89 -39.27 84.77 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.386 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -73.21 -35.93 66.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.046 -0.525 . . . . 10.0 109.846 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.2 t -61.33 -44.59 98.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.956 -0.565 . . . . 10.0 109.717 178.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -65.62 -31.18 72.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.384 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.92 -36.54 82.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.211 0.529 . . . . 10.0 109.86 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.34 -33.97 76.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.013 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.5 mt -69.54 -33.77 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.784 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -68.24 -30.56 69.64 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.355 0.598 . . . . 10.0 109.814 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -75.6 -35.21 60.59 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.725 -0.67 . . . . 10.0 110.284 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -76.49 -61.26 2.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.694 -0.685 . . . . 10.0 111.77 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -85.37 -68.41 0.73 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.812 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 139.31 -18.18 3.09 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.753 -0.737 . . . . 10.0 111.642 -179.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.4 mt -61.87 125.91 86.03 Favored Pre-proline 0 C--N 1.326 -0.423 0 C-N-CA 122.167 0.187 . . . . 10.0 110.547 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.18 144.71 99.28 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.573 2.182 . . . . 10.0 112.039 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.09 -18.49 51.36 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.884 2.389 . . . . 10.0 112.916 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.17 -29.1 67.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.561 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -101.88 1.1 36.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.607 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -91.58 108.05 19.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.069 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -112.2 96.94 6.31 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.886 0.374 . . . . 10.0 110.07 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.4 mt -83.53 123.72 30.03 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.789 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 93.4 mt -119.8 127.44 75.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.216 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -118.16 108.99 15.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.442 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.61 30.54 20.17 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.725 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.71 -13.46 65.25 Favored Glycine 0 N--CA 1.455 -0.098 0 C-N-CA 120.917 -0.659 . . . . 10.0 112.658 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -94.16 119.0 32.37 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.608 -0.145 . . . . 10.0 110.608 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -75.73 124.52 27.41 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.26 -0.644 . . . . 10.0 109.26 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.4 mt -76.76 129.5 36.38 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.319 -0.401 . . . . 10.0 111.515 -178.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.438 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 24.2 mt-10 -84.78 154.12 22.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.989 -0.551 . . . . 10.0 109.718 178.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.99 -48.28 81.04 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.782 0.66 . . . . 10.0 112.782 -178.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.01 46.6 3.69 Favored Glycine 0 CA--C 1.516 0.127 0 C-N-CA 120.677 -0.773 . . . . 10.0 114.149 -178.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.438 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 20.2 mmt180 -135.6 163.12 30.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 117.031 0.415 . . . . 10.0 110.068 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.9 p -105.34 166.77 10.19 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.01 -0.367 . . . . 10.0 110.01 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.0 mt -66.21 -31.89 72.99 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.274 0.559 . . . . 10.0 110.147 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.83 -23.51 64.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.627 -0.715 . . . . 10.0 111.572 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -64.35 -30.98 72.01 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.827 0.346 . . . . 10.0 111.221 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -107.29 10.72 29.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.037 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.7 t30 63.38 30.6 15.46 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.682 -0.69 . . . . 10.0 111.691 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.8 mt -76.23 123.47 32.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.775 -0.454 . . . . 10.0 109.775 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -122.57 -167.97 1.66 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.787 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.443 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 5.6 pttt -65.63 151.77 45.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.473 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 64.49 28.79 13.45 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.579 0.55 . . . . 10.0 111.792 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.5 m -103.35 132.49 49.57 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.897 0.379 . . . . 10.0 110.445 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -98.36 134.19 41.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.862 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 mp -120.96 148.08 44.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.181 -0.463 . . . . 10.0 109.829 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -98.24 129.37 44.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.819 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.9 tp -104.23 99.69 9.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.068 -0.514 . . . . 10.0 110.027 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 42.1 t -93.75 136.69 24.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.309 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.3 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.576 179.93 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.441 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 26.9 ptt? . . . . . 0 N--CA 1.482 1.165 0 N-CA-C 109.83 -0.433 . . . . 10.0 109.83 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -90.81 133.13 35.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.995 0.426 . . . . 10.0 111.502 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 13.9 pt -125.03 162.1 27.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.648 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.416 ' O ' ' HA ' ' B' ' 66' ' ' THR . 86.3 m-85 -119.71 126.79 51.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.557 -0.292 . . . . 10.0 110.519 -179.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 42.5 t -110.08 125.95 67.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.654 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -93.73 147.71 22.79 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.848 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 35.9 p -127.97 162.09 27.6 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.826 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 61.3 mt -64.91 -21.59 66.85 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.121 0.486 . . . . 10.0 111.046 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.48 -4.57 58.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.939 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.89 11.77 83.47 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 121.087 -0.578 . . . . 10.0 112.037 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -91.64 102.86 15.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.811 0.339 . . . . 10.0 110.634 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.1 m -74.0 122.76 23.12 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.282 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.3 mt -100.98 137.19 29.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.278 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.44 136.01 44.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.497 -0.319 . . . . 10.0 110.291 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 42.1 mt -142.34 143.37 32.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.099 0.476 . . . . 10.0 111.254 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -104.53 103.0 12.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.391 -0.822 . . . . 10.0 108.911 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.441 ' O ' ' HG2' ' B' ' 1' ' ' MET . 26.9 m -133.68 174.78 12.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.514 -0.312 . . . . 10.0 110.363 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.488 ' O ' HD12 ' B' ' 56' ' ' LEU . 5.6 mm-40 -126.6 157.17 71.83 Favored Pre-proline 0 C--N 1.318 -0.764 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 179.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.06 -17.5 31.71 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.643 2.229 . . . . 10.0 112.993 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.96 -7.81 59.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.837 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -76.59 153.77 35.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.709 0.29 . . . . 10.0 110.592 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.431 ' O ' HG21 ' B' ' 26' ' ' VAL . 29.8 p -96.44 151.65 19.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.299 -0.41 . . . . 10.0 111.032 -178.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 38.1 mm -57.94 -41.12 79.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.041 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -62.16 -42.57 99.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.521 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.415 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 64.5 t30 -66.41 -36.08 81.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.948 0.404 . . . . 10.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.431 HG21 ' O ' ' B' ' 22' ' ' THR . 71.4 t -63.29 -43.77 98.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 10.0 109.722 178.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -64.72 -30.72 71.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.445 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.49 -38.67 90.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.122 0.487 . . . . 10.0 110.044 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 18.4 mttm -64.69 -38.94 92.7 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.791 179.044 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 67.2 mt -68.29 -33.33 59.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.495 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.496 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 49.5 tt0 -65.86 -29.98 70.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.261 179.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -80.17 -43.28 21.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.526 -0.306 . . . . 10.0 110.606 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.2 mttt -71.43 -61.74 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.938 0.399 . . . . 10.0 111.903 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -79.16 -39.83 32.47 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.922 0.342 . . . . 10.0 111.922 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.496 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 96.26 16.88 36.19 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.51 -0.852 . . . . 10.0 112.283 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.9 mt -95.02 127.55 42.41 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 110.416 -0.216 . . . . 10.0 110.416 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.33 132.91 55.07 Favored 'Trans proline' 0 CA--C 1.533 0.436 0 C-N-CA 122.6 2.2 . . . . 10.0 111.963 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -60.06 -18.11 49.0 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.153 2.569 . . . . 10.0 112.895 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.53 -35.82 79.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.974 -0.557 . . . . 10.0 109.971 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -95.43 6.43 49.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.854 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -96.06 114.74 26.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.381 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.477 ' HD2' ' HD2' ' B' ' 72' ' ' ARG . 21.8 mtp180 -110.35 113.24 25.75 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.7 -0.852 . . . . 10.0 108.7 177.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 16.0 mt -94.45 123.73 38.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.849 0.357 . . . . 10.0 110.851 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -120.33 139.06 48.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.796 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -133.41 121.51 22.37 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.606 -0.725 . . . . 10.0 109.417 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.29 15.8 8.95 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.066 -0.515 . . . . 10.0 112.2 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.53 -0.86 46.05 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.751 -0.738 . . . . 10.0 113.362 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -118.81 152.75 35.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.93 0.365 . . . . 10.0 110.263 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.96 147.96 24.79 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.207 0.527 . . . . 10.0 112.013 -178.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 7.0 mt -103.05 128.73 49.8 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.018 -0.992 . . . . 10.0 108.754 178.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.486 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 48.9 mt-10 -78.19 153.94 31.55 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.723 0.297 . . . . 10.0 110.502 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.8 -47.81 84.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.736 -0.666 . . . . 10.0 111.58 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.53 48.12 3.9 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 121.047 -0.597 . . . . 10.0 113.133 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.486 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 37.6 mmt180 -136.66 161.26 36.41 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.89 -0.411 . . . . 10.0 109.89 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -105.0 159.17 16.03 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.955 -0.566 . . . . 10.0 109.721 179.165 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.488 HD12 ' O ' ' B' ' 18' ' ' GLU . 89.3 mt -63.61 -31.29 72.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.148 0.499 . . . . 10.0 110.63 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.7 p -70.07 -23.83 63.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.134 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.33 -19.66 64.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.577 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -112.58 12.64 19.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.455 -0.339 . . . . 10.0 110.379 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 57.49 34.82 25.13 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.65 -0.704 . . . . 10.0 112.099 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 66.7 mt -78.51 119.71 28.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.365 -0.379 . . . . 10.0 110.6 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -109.27 -172.71 2.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.333 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -71.94 162.71 29.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.284 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 60.08 27.1 16.5 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 123.415 0.447 . . . . 10.0 111.273 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 72.2 m -101.1 149.68 23.71 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.277 -0.419 . . . . 10.0 110.954 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 1.2 m -105.24 125.16 50.67 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.499 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -108.64 141.49 40.52 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.372 -0.973 . . . . 10.0 108.372 178.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.591 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 51.9 m80 -102.5 121.12 41.73 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 120.831 0.348 . . . . 10.0 111.275 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.5 tp -97.46 98.88 10.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.928 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 69.8 t -93.31 130.23 42.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.394 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 79.8 mt -84.28 148.33 26.74 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.477 ' HD2' ' HD2' ' B' ' 42' ' ' ARG . 21.1 ttt180 . . . . . 0 C--N 1.322 -0.628 0 CA-C-O 120.87 0.367 . . . . 10.0 111.001 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.747 0.308 . . . . 10.0 110.961 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -69.98 -27.83 65.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.569 -0.287 . . . . 10.0 111.05 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.62 -42.58 99.67 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -71.3 -36.97 71.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.382 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -67.57 -33.78 75.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.879 -0.601 . . . . 10.0 110.777 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 61.9 mtm -79.38 -29.81 42.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.53 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -65.4 -37.51 87.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.99 0.424 . . . . 10.0 110.46 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -64.45 -27.57 69.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.375 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -64.52 -40.9 96.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.004 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 56.6 mt -72.92 -32.18 38.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.278 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -65.5 -27.06 68.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.222 0.534 . . . . 10.0 110.131 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -77.06 -12.6 59.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.241 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 467' ' ' MET . . . . . 0.591 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 29.1 mmm -102.55 -47.64 4.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.431 -0.804 . . . . 10.0 109.985 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 468' ' ' PHE . . . . . 0.552 ' O ' HG13 ' D' ' 471' ' ' VAL . 66.7 m-85 -121.57 94.41 48.5 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.181 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -81.17 -2.65 11.8 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.286 1.991 . . . . 10.0 112.974 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 11.7 pm0 -99.16 -3.49 34.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.782 0.325 . . . . 10.0 111.416 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 471' ' ' VAL . . . . . 0.552 HG13 ' O ' ' D' ' 468' ' ' PHE . 9.9 p -94.07 135.34 24.74 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.589 -0.278 . . . . 10.0 110.405 -179.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 472' ' ' PRO . . . . . 0.403 ' HB3' ' CE1' ' D' ' 474' ' ' HIS . 32.6 Cg_exo -60.55 123.54 13.25 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.484 2.123 . . . . 10.0 112.136 178.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -57.19 -37.38 72.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.898 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 474' ' ' HIS . . . . . 0.403 ' CE1' ' HB3' ' D' ' 472' ' ' PRO . 53.7 p-80 -67.69 -24.42 65.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.592 0.234 . . . . 10.0 111.18 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 19.9 mt -80.27 -30.5 38.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.041 0.448 . . . . 10.0 109.913 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 57.9 t -65.93 -42.27 91.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.813 -0.631 . . . . 10.0 109.444 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.7 -20.79 66.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.908 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -73.13 -52.58 13.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.595 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -69.14 -32.4 71.74 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.938 0.399 . . . . 10.0 110.775 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.16 -30.01 67.85 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.168 0.508 . . . . 10.0 110.67 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -94.59 8.24 42.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.218 0.532 . . . . 10.0 110.526 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.41 -58.11 2.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.098 179.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 47.0 p -88.41 -32.75 18.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.419 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? 66.03 25.6 10.91 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.787 -0.642 . . . . 10.0 111.271 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 43.2 m -152.07 114.61 4.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.368 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 15.3 m -57.26 -29.62 33.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.44 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -65.5 -24.42 67.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.464 . . . . 10.0 111.01 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 30.7 mt -99.31 -31.86 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.96 0.409 . . . . 10.0 110.027 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 489' ' ' THR . . . . . 0.445 ' O ' HG13 ' D' ' 493' ' ' ILE . 89.1 m -64.34 -53.48 48.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.362 -0.835 . . . . 10.0 111.443 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 1.5 m -59.57 -38.89 82.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.787 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 491' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' D' ' 495' ' ' GLU . 31.1 t70 -67.93 -41.19 82.93 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 178.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -54.98 -37.76 66.95 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.273 -0.876 . . . . 10.0 110.671 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 493' ' ' ILE . . . . . 0.445 HG13 ' O ' ' D' ' 489' ' ' THR . 59.7 mt -66.19 -43.21 92.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.188 179.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 76.1 mt -68.08 -35.93 78.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 495' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' D' ' 491' ' ' ASP . 7.1 mm-40 -69.81 -36.52 75.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.257 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 116.7 27.57 2.75 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.278 -0.963 . . . . 10.0 113.005 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -82.42 -41.6 19.66 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 3.8 mp -93.19 132.36 37.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.575 -0.739 . . . . 10.0 109.023 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 . . . . . 0 C--N 1.327 -0.374 0 CA-C-O 121.013 0.435 . . . . 10.0 111.144 -179.505 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.483 1.207 0 CA-C-O 120.678 0.275 . . . . 10.0 110.378 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -105.66 146.88 29.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.644 0.259 . . . . 10.0 110.683 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.7 pt -129.98 160.56 40.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.699 -0.482 . . . . 10.0 109.699 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -116.28 111.14 19.7 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.069 0.461 . . . . 10.0 111.136 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.2 t -97.44 120.41 46.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.988 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -94.26 123.76 37.86 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.141 0.496 . . . . 10.0 110.935 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.98 163.21 14.08 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.045 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.4 mt -58.13 -30.38 66.28 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.854 0.359 . . . . 10.0 111.656 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.07 4.85 13.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 10.0 112.196 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.72 5.53 89.34 Favored Glycine 0 C--N 1.329 0.165 0 C-N-CA 120.834 -0.698 . . . . 10.0 112.183 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -77.38 143.83 38.4 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.003 -0.369 . . . . 10.0 110.003 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.7 m -114.0 116.91 29.95 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.254 -0.43 . . . . 10.0 109.925 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.0 mt -105.33 128.85 58.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.68 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.44 138.2 38.76 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mt -146.51 139.92 25.8 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.844 0.354 . . . . 10.0 111.268 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -82.46 123.75 29.44 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.602 -0.726 . . . . 10.0 109.89 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.2 m -139.3 159.64 28.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.683 -0.69 . . . . 10.0 110.472 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -117.28 157.14 47.85 Favored Pre-proline 0 C--N 1.32 -0.715 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -55.45 -30.26 72.68 Favored 'Trans proline' 0 CA--C 1.531 0.372 0 C-N-CA 122.5 2.133 . . . . 10.0 112.866 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.55 1.77 54.27 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.17 0.433 . . . . 10.0 112.17 -179.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -74.59 143.73 44.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.769 0.319 . . . . 10.0 110.502 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.448 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -93.64 147.78 22.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.113 -179.444 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 54' ' ' ARG . 48.5 mm -57.34 -36.01 51.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-O 120.949 0.404 . . . . 10.0 110.81 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -57.9 -42.9 85.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.284 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -71.31 -36.49 71.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.304 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 22' ' ' THR . 97.0 t -60.83 -43.81 96.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.507 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -63.58 -33.63 76.04 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.97 0.414 . . . . 10.0 110.136 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.73 -33.4 72.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.699 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -67.09 -37.57 84.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.042 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.0 mt -71.64 -36.25 58.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 108.911 -0.774 . . . . 10.0 108.911 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -63.09 -38.01 89.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.35 -0.841 . . . . 10.0 109.762 178.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -65.96 -25.7 67.23 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.375 -0.829 . . . . 10.0 111.109 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -94.06 -57.09 2.63 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.202 0.445 . . . . 10.0 112.202 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -82.66 -43.62 16.71 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.396 0.517 . . . . 10.0 112.396 -178.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.2 18.08 16.05 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 120.799 -0.715 . . . . 10.0 112.45 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.8 mt -94.4 126.13 49.33 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 122.86 -0.2 . . . . 10.0 110.525 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.54 135.13 67.82 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.715 2.277 . . . . 10.0 112.19 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.36 -25.81 49.8 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.304 2.669 . . . . 10.0 113.471 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -65.63 -36.76 84.63 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.067 0.46 . . . . 10.0 111.527 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -90.69 5.43 48.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.058 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -102.39 113.31 26.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.645 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.3 mtt180 -115.17 108.79 17.09 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.418 -0.586 . . . . 10.0 109.418 177.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.7 mt -92.37 126.83 37.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.248 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.1 mp -118.32 131.08 72.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.293 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -125.68 115.64 20.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.051 -0.522 . . . . 10.0 109.836 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.26 28.25 17.83 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.524 0.515 . . . . 10.0 111.562 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.21 -1.54 82.67 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.947 -0.644 . . . . 10.0 112.71 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt -108.04 138.54 44.12 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.1 -0.333 . . . . 10.0 110.1 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -80.14 137.8 36.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.757 0.313 . . . . 10.0 110.404 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.1 mt -87.91 119.64 28.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.434 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -79.07 138.18 37.85 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.22 -0.446 . . . . 10.0 110.636 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.6 -42.38 71.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.618 -0.719 . . . . 10.0 112.473 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.36 25.77 3.67 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.996 -0.621 . . . . 10.0 113.827 -178.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.408 ' O ' HG12 ' A' ' 23' ' ' ILE . 72.4 mmt-85 -127.45 163.14 24.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 117.079 0.44 . . . . 10.0 110.241 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.7 p -106.04 177.85 4.73 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.422 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.0 mt -69.34 -32.72 71.98 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.231 0.538 . . . . 10.0 110.153 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.2 m -71.6 -13.61 61.82 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.705 -0.68 . . . . 10.0 111.126 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -77.5 -14.09 59.76 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.454 -0.339 . . . . 10.0 110.956 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -125.33 13.56 8.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.154 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.3 t30 60.17 33.77 21.09 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.934 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.6 mt -75.89 111.45 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.805 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -95.13 -167.7 1.67 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.793 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.7 pttt -73.67 144.27 45.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.684 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 61.21 32.31 19.45 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.935 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.6 m -75.34 156.92 35.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.669 0.271 . . . . 10.0 110.47 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.2 m -95.87 111.96 23.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.385 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -109.36 126.19 53.14 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.736 -0.468 . . . . 10.0 109.736 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -98.88 127.2 44.74 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 110.07 -0.344 . . . . 10.0 110.07 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.6 tp -107.02 123.41 48.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.036 0.446 . . . . 10.0 111.353 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.0 t -120.14 134.72 62.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.698 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 67.0 mt . . . . . 0 C--N 1.326 -0.447 0 N-CA-C 110.336 -0.246 . . . . 10.0 110.336 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.495 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 23.2 ptt? . . . . . 0 N--CA 1.483 1.197 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -106.17 142.62 35.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.943 0.402 . . . . 10.0 111.691 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.6 pt -128.08 160.55 37.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.201 -0.666 . . . . 10.0 109.201 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.434 ' O ' ' HA ' ' B' ' 66' ' ' THR . 51.0 m-85 -120.41 113.46 20.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.114 0.483 . . . . 10.0 111.099 -178.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -101.03 131.57 48.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.894 -0.594 . . . . 10.0 109.891 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -113.09 129.1 56.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.908 0.385 . . . . 10.0 110.777 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.41 HG23 HD23 ' B' ' 69' ' ' LEU . 73.3 p -93.22 171.76 8.72 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 43.7 mt -70.79 -8.85 55.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.198 0.523 . . . . 10.0 110.852 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.77 -1.96 54.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.662 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.61 16.73 67.68 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.8 -0.714 . . . . 10.0 112.419 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 43.7 tttp -91.69 131.24 37.22 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.305 -0.257 . . . . 10.0 110.305 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.3 m -104.29 113.22 26.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.84 0.352 . . . . 10.0 110.312 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.6 mt -103.63 123.23 57.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.279 -0.418 . . . . 10.0 110.629 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.3 m -88.17 123.7 33.08 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.211 -0.449 . . . . 10.0 109.924 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 80.9 mt -124.34 145.21 49.57 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.84 0.352 . . . . 10.0 111.263 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -97.04 121.3 38.78 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.43 -0.581 . . . . 10.0 109.43 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.495 ' O ' ' HG2' ' B' ' 1' ' ' MET . 15.4 m -141.59 -175.9 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.723 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.486 ' O ' HD12 ' B' ' 56' ' ' LEU . 53.4 mm-40 -142.95 155.8 62.34 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 108.324 -0.991 . . . . 10.0 108.324 178.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -53.23 -31.21 54.77 Favored 'Trans proline' 0 CA--C 1.532 0.424 0 C-N-CA 122.618 2.212 . . . . 10.0 113.371 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.64 6.7 29.76 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.388 0.514 . . . . 10.0 112.388 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -73.75 158.52 34.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.112 0.482 . . . . 10.0 110.304 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.9 m -105.19 142.78 34.37 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.552 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 50.5 mm -53.38 -42.51 48.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-O 120.814 0.34 . . . . 10.0 111.19 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -58.27 -42.97 87.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.827 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -64.61 -38.36 90.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.25 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 67.0 t -61.54 -43.24 96.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 10.0 109.699 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -64.61 -35.31 80.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.242 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.58 -35.69 81.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.925 -0.58 . . . . 10.0 109.831 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -66.31 -38.62 88.12 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.875 179.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 82.5 mt -67.22 -35.37 73.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.165 -0.68 . . . . 10.0 109.165 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -70.14 -28.07 65.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.245 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -74.9 -45.93 39.37 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.943 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -76.87 -46.83 23.13 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.231 0.456 . . . . 10.0 112.231 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -93.05 -58.45 2.32 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 -178.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.08 0.28 10.63 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.701 -0.761 . . . . 10.0 112.303 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 15.7 mt -72.84 124.8 91.15 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 110.495 -0.187 . . . . 10.0 110.495 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -59.19 135.16 64.03 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.438 2.092 . . . . 10.0 111.909 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -55.57 -17.79 18.26 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.324 2.682 . . . . 10.0 113.395 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.63 -28.32 62.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.936 0.398 . . . . 10.0 111.163 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -103.21 13.64 33.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.951 0.405 . . . . 10.0 110.58 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -102.51 108.57 19.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.124 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -111.49 110.22 20.54 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.198 -0.667 . . . . 10.0 109.198 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 32.7 mt -94.02 134.35 36.52 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.138 0.494 . . . . 10.0 111.431 -178.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.422 HG12 ' CE2' ' D' ' 468' ' ' PHE . 1.6 mp -123.65 132.72 70.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.485 -0.779 . . . . 10.0 109.69 179.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.446 ' HB3' HD21 ' B' ' 50' ' ' LEU . 76.0 t80 -137.03 124.54 22.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.999 -0.546 . . . . 10.0 109.912 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.61 37.7 19.17 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.463 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.21 29.15 68.94 Favored Glycine 0 CA--C 1.517 0.172 0 C-N-CA 120.846 -0.693 . . . . 10.0 112.972 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -143.98 147.55 34.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.568 0.223 . . . . 10.0 110.481 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.77 142.17 31.79 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.384 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.446 HD21 ' HB3' ' B' ' 45' ' ' PHE . 31.9 mt -93.8 149.04 21.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.147 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.414 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 38.0 mt-10 -98.75 151.64 20.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.249 -0.432 . . . . 10.0 109.973 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.48 -52.09 66.69 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.397 0.518 . . . . 10.0 112.397 -178.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.3 58.92 4.95 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.802 -0.713 . . . . 10.0 113.342 -178.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.414 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 25.3 mmt180 -141.33 160.7 39.57 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.277 -0.268 . . . . 10.0 110.277 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.513 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 69.7 p -103.81 171.12 7.53 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.528 -0.545 . . . . 10.0 109.528 178.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.486 HD12 ' O ' ' B' ' 18' ' ' GLU . 27.2 mt -68.35 -33.67 74.71 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.204 -0.665 . . . . 10.0 109.204 178.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.97 -22.94 65.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.511 -0.768 . . . . 10.0 111.441 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.513 ' HB2' ' O ' ' B' ' 55' ' ' THR . 0.7 OUTLIER -57.08 -46.22 82.7 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.068 0.461 . . . . 10.0 111.058 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -103.13 12.21 36.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.293 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 59.54 38.07 22.51 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.34 -0.846 . . . . 10.0 111.974 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 62.1 mt -74.8 107.4 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.981 -0.554 . . . . 10.0 109.637 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -95.98 -165.48 1.29 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.802 -0.636 . . . . 10.0 110.93 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -79.45 153.86 29.34 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.453 -0.339 . . . . 10.0 110.437 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 69.44 6.32 5.63 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.694 0.621 . . . . 10.0 111.98 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 13.0 m -74.32 147.67 42.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.905 0.383 . . . . 10.0 111.093 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.434 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 2.0 m -99.15 129.74 45.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.304 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -115.84 130.99 57.06 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.237 -0.438 . . . . 10.0 109.939 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.515 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 50.0 m80 -88.15 120.39 29.46 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.44 -0.346 . . . . 10.0 110.074 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.41 HD23 HG23 ' B' ' 7' ' ' THR . 51.6 tp -104.72 107.45 18.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.169 0.509 . . . . 10.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 68.6 t -96.61 122.9 48.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.592 -0.731 . . . . 10.0 109.709 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 55.3 mt -83.62 119.87 25.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.674 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.497 ' HA ' ' CG ' ' D' ' 491' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.709 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.233 0.195 0 CA-C-O 121.043 0.449 . . . . 10.0 111.105 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -68.52 -41.16 80.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.315 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 59.3 mt -66.23 -38.17 87.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.566 -0.743 . . . . 10.0 110.886 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -63.54 -41.41 98.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.463 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.7 92.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.379 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 41.5 mtt -67.66 -46.01 73.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.949 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.39 -38.56 84.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.682 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -59.92 -35.46 74.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.256 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -68.77 -39.04 80.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.026 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 61.4 mt -67.5 -34.63 69.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.668 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 -63.84 -23.6 67.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.581 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -80.64 -19.39 45.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.447 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 467' ' ' MET . . . . . 0.515 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 62.6 mmm -85.27 -49.45 8.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.02 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 468' ' ' PHE . . . . . 0.47 ' O ' HG13 ' D' ' 471' ' ' VAL . 0.5 OUTLIER -124.11 91.34 49.72 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.979 179.299 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -78.54 41.64 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.805 2.337 . . . . 10.0 112.942 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -147.37 18.3 1.19 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.072 0.463 . . . . 10.0 110.709 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 471' ' ' VAL . . . . . 0.47 HG13 ' O ' ' D' ' 468' ' ' PHE . 10.6 p -115.51 133.12 22.81 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.846 -0.616 . . . . 10.0 109.941 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 472' ' ' PRO . . . . . 0.42 ' HB3' ' CE1' ' D' ' 474' ' ' HIS . 52.5 Cg_exo -56.05 116.26 3.05 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.549 2.166 . . . . 10.0 112.224 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -54.89 -38.31 67.39 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.964 -179.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 474' ' ' HIS . . . . . 0.42 ' CE1' ' HB3' ' D' ' 472' ' ' PRO . 12.2 p-80 -64.0 -25.81 68.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.578 -0.283 . . . . 10.0 111.485 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 39.7 mt -85.55 -29.34 24.25 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.067 -0.346 . . . . 10.0 110.067 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 58.5 t -65.76 -40.92 89.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 108.808 -0.812 . . . . 10.0 108.808 178.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 49.1 mt -66.14 -26.78 67.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.519 -0.764 . . . . 10.0 110.637 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.34 -49.36 74.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.064 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -74.95 -28.46 60.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.972 0.415 . . . . 10.0 110.295 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.17 -25.48 67.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.999 0.428 . . . . 10.0 110.258 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -92.83 -2.67 55.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.184 0.516 . . . . 10.0 110.078 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -103.89 -68.18 0.86 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.547 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.94 -41.01 37.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.081 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 63.06 37.58 11.5 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.89 -0.595 . . . . 10.0 111.508 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 50.6 m -155.94 109.21 2.71 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.037 -0.357 . . . . 10.0 110.037 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 5.2 m -45.65 -36.9 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 113.396 0.888 . . . . 10.0 113.396 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -64.12 -65.22 0.71 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.033 0.444 . . . . 10.0 111.08 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 16.3 mt -58.29 -35.9 55.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.452 -0.795 . . . . 10.0 112.026 -179.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 33.0 m -65.64 -63.23 1.14 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.039 -0.528 . . . . 10.0 112.251 -178.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 3.3 m -57.0 -39.05 73.95 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.186 0.439 . . . . 10.0 112.186 -177.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 491' ' ' ASP . . . . . 0.497 ' CG ' ' HA ' ' B' ' 72' ' ' ARG . 5.3 t0 -62.72 -57.68 10.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.906 0.384 . . . . 10.0 111.844 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -64.52 -22.43 66.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.387 -178.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 11.6 mt -64.18 -37.0 78.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 178.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.96 -23.0 66.11 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.949 -0.568 . . . . 10.0 111.013 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -85.42 -3.12 58.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.535 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 95.31 31.56 7.5 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.504 -0.855 . . . . 10.0 112.502 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -73.95 -34.03 64.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.463 0.649 . . . . 10.0 109.316 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 1.4 mp -104.92 134.43 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 108.537 -0.912 . . . . 10.0 108.537 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 . . . . . 0 C--N 1.328 -0.367 0 CA-C-O 120.92 0.391 . . . . 10.0 110.923 -179.607 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 109.916 -0.401 . . . . 10.0 109.916 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -107.84 131.55 54.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.914 0.388 . . . . 10.0 111.375 -179.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.4 pt -121.92 151.53 25.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.974 -0.557 . . . . 10.0 109.543 178.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -113.25 119.57 38.17 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.717 0.294 . . . . 10.0 110.879 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 63.9 t -105.49 121.21 57.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.268 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -97.17 138.92 33.93 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.044 0.449 . . . . 10.0 110.793 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.409 ' OG1' ' HB3' ' A' ' 11' ' ' LYS . 9.2 p -105.77 168.84 8.84 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.012 179.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.3 mt -59.44 -29.31 67.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 10.0 111.456 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.8 -5.62 57.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.773 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.46 -9.65 71.53 Favored Glycine 0 C--N 1.33 0.209 0 C-N-CA 120.741 -0.743 . . . . 10.0 112.948 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.409 ' HB3' ' OG1' ' A' ' 7' ' ' THR . 27.8 tttp -62.61 125.38 23.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.636 0.255 . . . . 10.0 110.411 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.1 m -102.23 113.76 27.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.816 0.341 . . . . 10.0 110.634 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.0 mt -103.23 124.33 57.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.773 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 m -94.58 125.85 39.49 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.61 -0.515 . . . . 10.0 109.61 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.5 mt -122.34 140.73 52.33 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.743 0.306 . . . . 10.0 111.147 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -93.9 111.79 23.54 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 108.991 -0.744 . . . . 10.0 108.991 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 22.9 m -134.8 176.06 9.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.427 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -132.75 160.25 69.21 Favored Pre-proline 0 C--N 1.319 -0.722 0 N-CA-C 109.07 -0.715 . . . . 10.0 109.07 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.9 -27.95 56.29 Favored 'Trans proline' 0 N--CA 1.474 0.354 0 C-N-CA 122.646 2.231 . . . . 10.0 113.572 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.19 5.35 41.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.477 -0.328 . . . . 10.0 111.785 -179.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -80.73 140.72 35.41 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.745 0.307 . . . . 10.0 110.225 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.461 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -87.6 148.0 25.04 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.571 -179.699 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.1 mm -57.96 -37.12 59.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.922 0.392 . . . . 10.0 110.062 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -59.64 -44.46 93.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.266 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -65.68 -36.29 83.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.883 -0.598 . . . . 10.0 110.161 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 22' ' ' THR . 90.2 t -62.5 -44.64 99.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.987 -0.551 . . . . 10.0 109.97 178.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -66.05 -33.24 75.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.221 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.42 -34.67 78.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.065 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -68.5 -39.91 81.09 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.474 -0.565 . . . . 10.0 109.474 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 55.5 mt -67.65 -34.2 66.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 121.625 0.726 . . . . 10.0 109.35 178.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.466 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 27.3 tt0 -64.55 -30.65 71.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.801 -1.09 . . . . 10.0 110.393 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -86.32 -33.81 20.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.345 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm -69.61 -59.26 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.493 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -94.6 -47.78 6.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.745 0.307 . . . . 10.0 111.425 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.466 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 118.99 -5.14 13.79 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.491 -0.862 . . . . 10.0 112.091 -179.225 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.1 mt -60.68 126.19 84.54 Favored Pre-proline 0 C--N 1.324 -0.51 0 C-N-CA 122.588 0.355 . . . . 10.0 111.234 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -60.86 129.4 28.86 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.476 2.117 . . . . 10.0 111.868 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -52.35 -24.18 20.56 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.367 2.711 . . . . 10.0 113.912 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.12 -35.31 80.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.808 0.337 . . . . 10.0 111.383 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -94.01 -3.67 50.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.835 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -82.02 103.94 12.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.382 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.406 HH22 ' HA ' ' D' ' 472' ' ' PRO . 39.4 ttt180 -107.79 100.03 9.44 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.721 -0.474 . . . . 10.0 109.721 178.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.4 mt -86.87 130.11 34.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.284 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.6 mt -130.75 135.85 59.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.761 -0.654 . . . . 10.0 109.766 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -129.28 109.92 11.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.96 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.49 24.43 14.06 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.916 -0.583 . . . . 10.0 111.786 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.19 -9.34 59.48 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.754 -0.736 . . . . 10.0 112.195 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -90.88 121.75 33.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.361 0.124 . . . . 10.0 110.765 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -76.74 122.1 24.25 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.783 -0.821 . . . . 10.0 108.783 178.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.4 mt -87.37 121.92 30.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.87 0.367 . . . . 10.0 111.642 -178.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.428 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 45.2 mt-10 -84.83 146.58 27.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.641 178.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -61.17 -36.01 78.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.066 -0.515 . . . . 10.0 111.93 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.62 28.5 3.49 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 121.103 -0.57 . . . . 10.0 113.707 -178.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.428 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 17.9 mmt180 -129.52 165.41 21.73 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.823 -0.436 . . . . 10.0 109.823 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.4 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 48.1 p -106.16 172.0 7.04 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.627 -0.509 . . . . 10.0 109.627 178.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.9 mt -67.15 -27.15 67.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.232 0.539 . . . . 10.0 110.388 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.8 m -75.83 -23.18 55.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.938 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.3 m-20 -61.61 -37.84 85.41 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.33 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -102.75 8.12 39.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.446 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 61.23 64.85 1.04 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 123.948 0.78 . . . . 10.0 111.015 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 54.0 mt -112.16 126.93 69.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.048 -0.523 . . . . 10.0 109.895 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -120.48 -170.79 2.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.042 0.448 . . . . 10.0 110.912 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -64.23 155.97 30.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.98 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 70.28 -5.95 1.24 Allowed 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.289 0.636 . . . . 10.0 112.394 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.7 m -72.55 137.43 46.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.882 0.372 . . . . 10.0 110.532 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.9 m -102.19 125.0 48.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.456 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 mp -105.81 158.51 16.69 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.694 -0.684 . . . . 10.0 109.361 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -120.15 137.88 53.91 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 121.04 -0.264 . . . . 10.0 110.384 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.5 tp -117.3 113.51 22.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.122 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.1 t -108.8 136.04 45.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.178 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.5 mt . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 116.615 -0.266 . . . . 10.0 110.429 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.2 ptt? . . . . . 0 N--CA 1.475 0.82 0 N-CA-C 109.953 -0.388 . . . . 10.0 109.953 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -93.71 139.86 30.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.954 0.407 . . . . 10.0 111.73 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.5 pt -127.74 148.17 32.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.477 -0.783 . . . . 10.0 109.571 178.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -105.42 109.78 21.89 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.9 0.381 . . . . 10.0 110.573 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -93.47 117.4 36.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.273 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.486 ' HZ1' ' CD ' ' D' ' 466' ' ' GLU . 19.0 tptm -92.97 132.36 37.13 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.759 -0.459 . . . . 10.0 109.759 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 33.2 p -114.87 161.34 18.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.784 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 24.3 mt -69.57 -14.79 63.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.975 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.47 -4.41 58.92 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.847 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.96 26.63 48.54 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.996 -0.621 . . . . 10.0 112.617 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.449 ' HZ2' ' CD ' ' B' ' 34' ' ' GLU . 81.7 tttt -112.3 124.57 52.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.633 0.254 . . . . 10.0 110.547 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -95.27 113.1 24.74 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 6.8 mt -97.21 125.25 50.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.147 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.24 114.48 26.58 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.782 -0.645 . . . . 10.0 109.652 179.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 93.9 mt -116.24 143.83 45.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.125 0.488 . . . . 10.0 112.113 -178.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -95.4 109.12 21.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.269 -0.878 . . . . 10.0 108.74 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 18.9 m -134.63 173.01 15.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.101 0.477 . . . . 10.0 111.027 -178.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.577 ' O ' HD11 ' B' ' 56' ' ' LEU . 56.8 mm-40 -131.1 152.57 80.88 Favored Pre-proline 0 C--N 1.317 -0.839 0 N-CA-C 108.607 -0.886 . . . . 10.0 108.607 178.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.29 -31.15 65.62 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.357 2.038 . . . . 10.0 112.259 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -84.01 5.95 23.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.778 -0.646 . . . . 10.0 112.257 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -84.24 137.93 33.22 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.886 -0.412 . . . . 10.0 109.886 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.6 m -80.63 144.37 32.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.768 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.419 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 45.6 mm -56.38 -40.38 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 CA-C-N 116.566 -0.288 . . . . 10.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -56.62 -38.17 71.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.038 0.446 . . . . 10.0 110.59 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.439 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 66.3 t30 -68.56 -36.55 78.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.075 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.421 ' O ' HG13 ' B' ' 30' ' ' ILE . 46.6 t -65.04 -39.16 84.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 178.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' B' ' 23' ' ' ILE . 7.4 mmmm -61.21 -39.05 88.79 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.78 -0.646 . . . . 10.0 109.932 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.51 ' O ' ' HG2' ' B' ' 31' ' ' GLN . . . -66.87 -37.85 85.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.531 -0.759 . . . . 10.0 110.489 179.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 96.3 mttt -63.2 -30.54 71.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.09 0.471 . . . . 10.0 110.036 179.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.421 HG13 ' O ' ' B' ' 26' ' ' VAL . 73.3 mt -72.45 -32.19 41.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.122 -0.49 . . . . 10.0 109.825 178.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.51 ' HG2' ' O ' ' B' ' 28' ' ' ALA . 4.7 pt20 -77.81 -23.84 48.94 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 178.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -77.27 -44.61 29.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.367 -0.833 . . . . 10.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.1 mttm -87.13 -58.94 2.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.147 -0.479 . . . . 10.0 111.974 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.449 ' CD ' ' HZ2' ' B' ' 11' ' ' LYS . 16.2 mm-40 -74.48 -56.38 4.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.668 0.271 . . . . 10.0 110.695 -179.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.54 6.15 17.84 Favored Glycine 0 C--O 1.228 -0.247 0 C-N-CA 120.708 -0.758 . . . . 10.0 112.758 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.5 mt -86.32 126.31 65.09 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 110.192 -0.299 . . . . 10.0 110.192 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.43 127.98 26.09 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.962 2.441 . . . . 10.0 112.15 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.548 ' HA ' ' CD ' ' B' ' 41' ' ' GLN . 79.9 Cg_exo -49.31 -37.43 40.26 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.547 2.831 . . . . 10.0 113.832 -179.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -62.84 -24.08 67.61 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.927 -0.579 . . . . 10.0 112.225 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -96.0 -5.69 40.59 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.309 0.485 . . . . 10.0 112.309 -178.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.548 ' CD ' ' HA ' ' B' ' 38' ' ' PRO . 0.6 OUTLIER -95.38 139.72 31.28 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.596 -0.441 . . . . 10.0 110.696 -179.461 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -124.49 99.09 6.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.28 -0.418 . . . . 10.0 109.911 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 16.8 mt -79.9 127.19 31.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.333 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mp -120.3 139.67 46.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.541 -0.754 . . . . 10.0 109.967 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -137.48 123.47 20.23 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.356 -0.609 . . . . 10.0 109.356 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.4 17.56 10.39 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.645 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.43 -6.44 52.92 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.829 -0.7 . . . . 10.0 113.512 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -117.41 151.75 36.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 117.207 0.504 . . . . 10.0 111.403 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.33 146.52 32.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.141 -179.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 24.4 mt -95.27 150.77 19.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.326 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -97.03 137.82 35.51 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 178.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -58.67 -37.65 76.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.504 -0.316 . . . . 10.0 111.362 -179.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.94 38.3 3.19 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.112 -0.566 . . . . 10.0 113.26 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.407 ' O ' HG12 ' B' ' 23' ' ' ILE . 75.4 mmt-85 -131.67 163.17 28.71 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 179.038 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.452 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 0.0 OUTLIER -104.14 160.3 14.97 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.723 -179.592 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.577 HD11 ' O ' ' B' ' 18' ' ' GLU . 91.4 mt -61.56 -35.1 76.85 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.706 0.288 . . . . 10.0 111.115 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 4.8 m -64.34 -26.83 68.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.463 -0.335 . . . . 10.0 111.497 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.452 ' HB2' ' O ' ' B' ' 55' ' ' THR . 6.2 m-20 -60.17 -36.99 78.83 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.067 0.46 . . . . 10.0 110.919 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -98.72 9.07 44.14 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.681 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 57.95 38.72 26.94 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.586 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 82.0 mt -75.75 110.51 10.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.936 0.398 . . . . 10.0 110.221 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -90.3 179.89 5.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.71 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -77.43 152.2 34.4 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.617 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 63.03 39.59 9.98 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.031 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 19.1 m -107.17 164.42 12.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.705 -0.679 . . . . 10.0 110.415 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.9 m -108.65 133.38 52.83 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.7 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.3 mp -116.11 145.87 42.69 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.194 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.5 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 36.4 m80 -98.56 114.36 26.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.428 -0.351 . . . . 10.0 111.17 -179.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 47.4 tp -98.05 90.31 4.84 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.294 -0.632 . . . . 10.0 109.294 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.428 ' CG1' ' HB ' ' D' ' 490' ' ' THR . 59.8 t -82.61 140.64 16.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.962 -0.563 . . . . 10.0 111.101 -178.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 34.6 mt -88.95 162.77 15.89 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.539 -0.755 . . . . 10.0 109.604 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.542 ' HE ' ' CG ' ' D' ' 491' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 C-N-CA 121.064 -0.254 . . . . 10.0 110.837 -179.048 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.53 0.208 0 N-CA-C 112.245 0.461 . . . . 10.0 112.245 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -66.48 -42.72 87.04 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.11 -0.236 . . . . 10.0 111.569 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 8.0 mt -62.34 -42.88 99.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.649 -0.25 . . . . 10.0 110.386 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -62.12 -46.32 89.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.469 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -59.66 -44.28 93.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 10.0 111.295 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 48.8 mtm -66.02 -40.44 91.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.734 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -67.59 -32.86 73.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.628 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -58.5 -45.85 87.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.584 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 463' ' ' GLN . . . . . 0.563 ' O ' ' HG2' ' D' ' 467' ' ' MET . 0.4 OUTLIER -63.75 -39.24 93.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.701 179.657 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 88.0 mt -67.04 -35.25 74.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.379 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 15.4 tp60 -63.78 -32.31 73.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.175 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . 0.486 ' CD ' ' HZ1' ' B' ' 6' ' ' LYS . 29.5 mt-10 -69.69 -37.33 76.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.094 178.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 467' ' ' MET . . . . . 0.563 ' HG2' ' O ' ' D' ' 463' ' ' GLN . 67.0 mmm -73.84 -44.18 56.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.499 -0.773 . . . . 10.0 111.187 -179.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 468' ' ' PHE . . . . . 0.578 ' O ' HG13 ' D' ' 471' ' ' VAL . 37.5 m-85 -116.86 91.56 35.83 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-O 121.008 0.432 . . . . 10.0 110.023 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -68.15 -19.96 44.26 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 123.004 2.469 . . . . 10.0 113.567 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 15.0 pm0 -90.09 -12.36 38.63 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.032 0.382 . . . . 10.0 112.032 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 471' ' ' VAL . . . . . 0.578 HG13 ' O ' ' D' ' 468' ' ' PHE . 2.1 p -83.12 139.9 42.51 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 120.578 0.228 . . . . 10.0 110.654 -179.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 472' ' ' PRO . . . . . 0.406 ' HA ' HH22 ' A' ' 42' ' ' ARG . 53.7 Cg_endo -83.18 131.66 5.89 Favored 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 122.111 1.874 . . . . 10.0 112.52 178.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -48.51 -42.54 33.35 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.151 -0.931 . . . . 10.0 113.354 -178.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -64.1 -36.02 82.66 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 112.12 0.415 . . . . 10.0 112.12 -177.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 475' ' ' LEU . . . . . 0.444 ' O ' ' HB3' ' D' ' 478' ' ' GLN . 21.0 mt -75.29 -28.67 59.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.796 0.332 . . . . 10.0 110.457 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 62.2 t -66.62 -45.4 88.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.445 -0.576 . . . . 10.0 109.445 178.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 55.4 mt -63.0 -27.09 69.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.534 -0.757 . . . . 10.0 110.528 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 478' ' ' GLN . . . . . 0.444 ' HB3' ' O ' ' D' ' 475' ' ' LEU . 0.0 OUTLIER -61.55 -50.03 74.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.019 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -69.73 -34.97 74.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.343 -0.39 . . . . 10.0 110.412 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.7 -25.05 64.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.413 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -79.28 -15.05 58.58 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.467 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -110.18 -43.81 3.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.758 0.313 . . . . 10.0 111.738 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 69.5 p -89.71 -41.56 11.84 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.578 0.228 . . . . 10.0 111.312 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? 63.55 24.43 14.02 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.379 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 2.2 t -142.15 122.87 14.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.527 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 31.1 m -62.97 -27.81 43.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.963 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -67.9 -38.09 82.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.612 -0.722 . . . . 10.0 111.008 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 31.6 mt -85.01 -30.42 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.453 -0.339 . . . . 10.0 110.84 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 90.2 m -63.95 -48.47 76.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.53 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 490' ' ' THR . . . . . 0.428 ' HB ' ' CG1' ' B' ' 70' ' ' VAL . 3.2 p -66.13 -32.16 73.44 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.085 0.469 . . . . 10.0 109.9 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 491' ' ' ASP . . . . . 0.542 ' CG ' ' HE ' ' B' ' 72' ' ' ARG . 12.9 t0 -62.18 -54.84 35.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.266 -0.879 . . . . 10.0 109.166 178.123 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 492' ' ' ASN . . . . . 0.411 ' HB3' ' HB3' ' D' ' 497' ' ' ARG . 67.1 m-20 -57.11 -35.3 69.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.501 -1.227 . . . . 10.0 111.726 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 96.6 mt -73.7 -41.47 54.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 10.0 111.112 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -26.01 67.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.2 -0.455 . . . . 10.0 111.413 -179.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -86.29 -77.96 0.3 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.065 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 167.2 29.96 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.201 -0.999 . . . . 10.0 113.148 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 497' ' ' ARG . . . . . 0.411 ' HB3' ' HB3' ' D' ' 492' ' ' ASN . 5.7 tpp180 -74.96 -49.43 20.05 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 3.6 mp -86.38 122.46 38.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.145 -0.934 . . . . 10.0 108.755 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 . . . . . 0 C--N 1.324 -0.537 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.852 -179.26 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.485 1.308 0 N-CA-C 110.26 -0.274 . . . . 10.0 110.26 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 -104.33 136.55 43.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.785 0.326 . . . . 10.0 111.407 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.2 pt -130.04 168.56 22.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.503 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.423 ' O ' ' HA ' ' A' ' 66' ' ' THR . 45.9 m-85 -126.83 128.83 47.16 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.524 -0.307 . . . . 10.0 110.428 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.0 t -108.84 120.85 60.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -103.95 139.51 39.0 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.155 0.502 . . . . 10.0 111.317 -178.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.9 p -104.9 168.54 8.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.498 -0.773 . . . . 10.0 110.592 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.7 mt -67.24 -25.64 66.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.426 -0.352 . . . . 10.0 111.237 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.33 -15.04 62.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.079 -0.509 . . . . 10.0 111.822 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.51 21.5 21.75 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.582 -0.818 . . . . 10.0 112.078 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.0 tttp -105.14 136.45 44.6 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.829 0.347 . . . . 10.0 110.417 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.6 m -109.18 123.92 50.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.368 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.0 mt -104.85 132.24 52.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.521 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -89.01 133.97 34.15 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.958 -0.386 . . . . 10.0 109.958 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.4 mt -139.27 135.62 34.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.079 0.466 . . . . 10.0 111.655 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -93.12 116.92 29.49 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.39 -0.823 . . . . 10.0 108.893 178.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.6 m -136.16 173.26 14.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.142 -178.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.539 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 6.8 mm-40 -131.98 161.06 64.93 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.638 -0.71 . . . . 10.0 109.294 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.87 -27.91 74.59 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.079 1.853 . . . . 10.0 112.003 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.81 -3.2 56.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.55 -0.75 . . . . 10.0 111.452 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.539 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -70.5 128.84 37.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.92 0.39 . . . . 10.0 110.332 -179.872 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.51 148.43 26.53 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.057 -0.519 . . . . 10.0 109.744 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.1 mm -56.11 -39.02 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.737 0.303 . . . . 10.0 110.701 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -60.41 -35.23 75.28 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.681 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -71.1 -37.4 72.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.83 0.348 . . . . 10.0 110.065 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.8 t -62.14 -40.37 87.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.49 -0.559 . . . . 10.0 109.49 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -60.82 -40.63 93.46 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.686 -0.688 . . . . 10.0 109.892 178.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.96 -39.85 90.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.636 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -63.1 -36.61 84.18 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.018 0.437 . . . . 10.0 110.155 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 97.4 mt -67.95 -38.48 80.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.989 -0.55 . . . . 10.0 109.896 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -71.16 -31.12 67.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.912 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.89 -43.82 82.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.069 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -82.61 -59.13 2.62 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.442 0.534 . . . . 10.0 112.442 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -81.14 -50.83 9.13 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.387 0.514 . . . . 10.0 112.387 -178.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.32 21.13 8.17 Favored Glycine 0 C--N 1.322 -0.219 0 C-N-CA 120.378 -0.915 . . . . 10.0 112.636 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.9 mt -87.81 128.75 53.08 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 110.114 -0.328 . . . . 10.0 110.114 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -55.07 132.06 50.08 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.659 2.239 . . . . 10.0 111.687 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -60.67 -24.46 78.63 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.696 2.264 . . . . 10.0 112.774 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -66.63 -33.89 76.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.073 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -95.12 6.33 49.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.037 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -94.19 115.23 27.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.046 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -120.83 98.16 5.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.195 0.521 . . . . 10.0 109.625 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.0 mt -84.52 132.04 34.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.648 -0.706 . . . . 10.0 111.732 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 74.3 mt -129.03 137.26 57.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.527 -0.76 . . . . 10.0 109.436 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -137.33 125.99 23.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.517 0.198 . . . . 10.0 110.809 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.96 26.96 15.65 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.911 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.407 ' HA2' ' CZ ' ' D' ' 473' ' ' TYR . . . 83.0 17.35 67.59 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.665 -0.779 . . . . 10.0 112.847 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -127.44 133.47 49.93 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.907 -0.405 . . . . 10.0 109.907 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -74.92 132.54 41.52 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.876 0.37 . . . . 10.0 110.234 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.5 mt -85.94 123.67 31.54 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.088 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -86.59 138.52 31.63 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.035 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.66 -33.13 69.75 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.71 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.89 41.3 2.99 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.012 -0.613 . . . . 10.0 112.372 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 77.4 mmt-85 -140.58 160.76 39.32 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.633 -0.506 . . . . 10.0 109.633 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.533 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -104.72 171.49 7.29 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.521 -0.309 . . . . 10.0 110.388 179.478 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.401 HD11 ' O ' ' A' ' 18' ' ' GLU . 62.7 mt -64.98 -38.12 89.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.735 0.302 . . . . 10.0 111.417 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.96 -20.1 66.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.506 -0.315 . . . . 10.0 111.533 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.533 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.9 m-20 -63.03 -36.36 83.32 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.935 0.398 . . . . 10.0 111.116 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -107.39 19.12 20.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.071 -178.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 60.06 31.75 20.73 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.674 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.9 mt -75.97 115.64 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.018 0.437 . . . . 10.0 110.124 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -115.06 -161.58 0.78 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.521 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 31.9 pttt -72.23 147.82 46.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.44 -0.345 . . . . 10.0 111.256 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 70.64 13.51 7.28 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.314 0.646 . . . . 10.0 111.798 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.4 m -77.07 133.31 39.1 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.807 0.337 . . . . 10.0 110.277 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 19.6 m -100.71 114.23 27.79 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.3 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.4 mp -95.6 136.37 36.09 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.587 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -99.74 130.4 45.95 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.968 0.413 . . . . 10.0 110.749 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.8 tp -108.19 102.67 11.8 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.578 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.4 t -89.9 121.58 40.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.993 -0.549 . . . . 10.0 109.678 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 24.5 mt . . . . . 0 C--N 1.32 -0.694 0 CA-C-N 116.22 -0.446 . . . . 10.0 110.372 -179.819 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.757 ' SD ' ' HA ' ' B' ' 63' ' ' LYS . 14.0 ptt? . . . . . 0 N--CA 1.478 0.962 0 N-CA-C 110.159 -0.311 . . . . 10.0 110.159 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.488 ' O ' ' HA ' ' B' ' 64' ' ' GLU . 71.7 mm-40 -106.55 138.76 42.14 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.062 -0.347 . . . . 10.0 110.062 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 25.4 pt -117.91 153.98 19.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 110.198 -0.297 . . . . 10.0 110.198 178.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -107.33 117.48 34.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.91 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 16.9 t -119.17 109.8 27.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.649 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.485 ' HZ3' ' CD ' ' D' ' 466' ' ' GLU . 71.1 tttt -88.68 140.09 29.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.974 0.416 . . . . 10.0 110.953 -179.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.56 168.7 8.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.559 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 25.8 mt -67.93 -5.85 19.07 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 111.942 0.349 . . . . 10.0 111.942 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.31 -9.38 50.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.898 0.38 . . . . 10.0 110.62 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.73 -9.06 68.62 Favored Glycine 0 C--N 1.331 0.26 0 CA-C-N 115.956 -0.565 . . . . 10.0 111.869 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -78.54 139.93 38.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.5 -0.35 . . . . 10.0 110.874 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -105.33 117.23 33.48 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.708 -0.479 . . . . 10.0 109.708 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 10.4 mt -93.87 136.36 25.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.5 -0.318 . . . . 10.0 110.685 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 5.9 m -106.45 126.59 52.44 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.388 -0.597 . . . . 10.0 109.388 178.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 48.7 mt -123.03 142.15 51.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.553 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -94.38 109.91 21.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.373 -0.83 . . . . 10.0 109.222 178.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 19.2 m -141.01 176.59 4.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.315 0.579 . . . . 10.0 111.862 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.42 ' O ' HD12 ' B' ' 56' ' ' LEU . 70.9 mm-40 -131.72 156.98 79.42 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 108.133 -1.062 . . . . 10.0 108.133 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -56.15 -34.86 94.21 Favored 'Trans proline' 0 CA--C 1.531 0.344 0 C-N-CA 122.25 1.967 . . . . 10.0 112.713 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.53 0.13 27.36 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.128 0.418 . . . . 10.0 112.128 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -74.07 141.87 45.68 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.953 -0.388 . . . . 10.0 109.953 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.65 144.51 25.68 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.609 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 51.3 mm -54.48 -36.37 34.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-O 121.078 0.466 . . . . 10.0 110.445 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -57.5 -43.83 84.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.619 -0.718 . . . . 10.0 110.592 178.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -70.99 -34.52 71.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.544 -0.753 . . . . 10.0 110.664 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 96.0 t -62.49 -40.04 86.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.555 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -63.44 -30.48 71.6 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.994 0.426 . . . . 10.0 110.624 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.15 -35.83 76.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.136 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -69.44 -34.2 74.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.177 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 84.8 mt -71.52 -40.46 71.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.858 -0.423 . . . . 10.0 109.858 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.447 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 65.4 tt0 -66.64 -24.98 66.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.222 0.534 . . . . 10.0 110.224 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -77.95 -21.66 50.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.84 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -103.32 -59.52 1.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.633 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -80.69 -27.22 37.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.536 -178.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 83.91 9.29 82.9 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.597 -0.811 . . . . 10.0 112.92 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 66.5 mt -82.84 126.8 72.06 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 110.625 -0.139 . . . . 10.0 110.625 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_exo -58.89 147.83 87.32 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.509 2.14 . . . . 10.0 112.096 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -63.14 -15.36 47.52 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.596 2.197 . . . . 10.0 112.222 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.45 -32.43 62.61 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.064 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -94.64 -1.98 52.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.124 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -90.06 105.99 18.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.604 -0.725 . . . . 10.0 112.005 -178.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 -113.63 101.97 9.83 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.642 -0.874 . . . . 10.0 108.642 177.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 23.9 mt -87.29 130.91 34.42 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.142 -177.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.47 ' HA ' ' O ' ' B' ' 48' ' ' LYS . 1.4 mp -123.38 137.77 55.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.473 -0.785 . . . . 10.0 110.908 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -133.54 121.7 22.51 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.721 -0.844 . . . . 10.0 108.721 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.25 18.23 11.16 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.605 0.566 . . . . 10.0 111.251 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.44 10.11 57.22 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 121.093 -0.575 . . . . 10.0 113.509 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' B' ' 44' ' ' ILE . 8.3 mtmt -126.92 161.02 29.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 117.045 0.423 . . . . 10.0 110.769 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -85.45 152.44 23.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.825 0.345 . . . . 10.0 111.296 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 48.2 mt -102.68 152.3 21.37 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.235 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -95.63 147.95 23.04 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.901 -0.407 . . . . 10.0 109.901 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.91 -53.0 62.64 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.844 0.354 . . . . 10.0 111.387 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.53 52.56 4.57 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.982 -0.627 . . . . 10.0 113.118 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -140.49 150.75 44.15 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.107 -0.331 . . . . 10.0 110.107 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 43.6 p -102.72 168.25 9.37 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.172 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.42 HD12 ' O ' ' B' ' 18' ' ' GLU . 68.1 mt -66.67 -31.7 72.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.059 0.457 . . . . 10.0 110.517 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -24.88 65.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.051 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -63.91 -34.05 77.08 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.214 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -96.64 7.3 46.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.09 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 65.86 34.86 6.99 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.062 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 95.9 mt -78.41 135.43 26.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.408 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -101.59 -170.2 1.79 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.029 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.757 ' HA ' ' SD ' ' B' ' 1' ' ' MET . 55.2 pttt -75.69 146.75 39.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.13 -0.487 . . . . 10.0 111.65 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.488 ' HA ' ' O ' ' B' ' 2' ' ' GLN . 30.2 mt-10 54.31 43.79 29.96 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.654 -0.703 . . . . 10.0 112.106 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 55.8 m -88.54 162.57 16.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.039 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.1 m -106.95 133.24 51.91 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.623 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.5 mp -122.57 153.64 38.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.119 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.575 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 35.4 m170 -101.84 132.05 47.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.601 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 53.4 tp -110.91 95.62 5.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.126 0.489 . . . . 10.0 110.311 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 54.0 t -81.35 121.6 35.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.789 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 62.4 mt -86.29 126.42 34.3 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 CA-C-O 120.898 0.38 . . . . 10.0 110.95 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 C--O 1.235 0.316 0 N-CA-C 112.797 0.665 . . . . 10.0 112.797 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -70.35 -38.53 74.83 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.753 0.279 . . . . 10.0 111.753 -178.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 95.1 mt -62.42 -43.91 97.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.689 0.281 . . . . 10.0 111.009 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -62.87 -43.76 97.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.809 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -59.99 -44.07 94.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.373 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 71.0 mtm -68.54 -40.43 80.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.099 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -68.07 -29.36 68.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.791 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -58.21 -44.92 88.39 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.76 0.281 . . . . 10.0 111.76 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.22 -32.95 67.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.143 0.497 . . . . 10.0 111.409 -179.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 62.2 mt -75.07 -37.22 40.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.055 -0.521 . . . . 10.0 110.016 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 -64.12 -32.13 73.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.292 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . 0.485 ' CD ' ' HZ3' ' B' ' 6' ' ' LYS . 63.1 mt-10 -68.11 -31.17 70.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.334 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 467' ' ' MET . . . . . 0.575 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 59.9 mtm -88.88 -24.68 22.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.901 0.381 . . . . 10.0 111.427 -179.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 468' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -129.15 85.5 59.53 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-O 121.163 0.506 . . . . 10.0 110.346 178.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -79.03 32.38 0.47 Allowed 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 122.66 2.24 . . . . 10.0 113.352 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.05 -2.27 2.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.755 -0.202 . . . . 10.0 111.53 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 471' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.45 130.65 22.71 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 110.458 -0.201 . . . . 10.0 110.458 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 472' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -57.66 133.57 57.35 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 122.778 2.319 . . . . 10.0 112.776 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 473' ' ' TYR . . . . . 0.407 ' CZ ' ' HA2' ' A' ' 47' ' ' GLY . 3.1 t80 -54.62 -42.86 71.69 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.664 -0.698 . . . . 10.0 112.185 -179.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 54.4 p-80 -65.69 -23.67 66.83 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.842 0.312 . . . . 10.0 111.842 -178.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 475' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' D' ' 478' ' ' GLN . 15.6 mt -78.27 -30.88 48.79 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.739 -0.467 . . . . 10.0 109.739 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 23.6 t -73.06 -40.58 58.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.725 -0.671 . . . . 10.0 109.392 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 52.0 mt -62.65 -24.76 67.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.428 179.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 478' ' ' GLN . . . . . 0.442 HE21 ' HB3' ' D' ' 478' ' ' GLN . 4.1 tt0 -65.19 -56.7 11.35 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.582 -0.735 . . . . 10.0 110.716 179.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -64.91 -30.42 71.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.29 -0.413 . . . . 10.0 110.72 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 480' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' D' ' 484' ' ' ARG . 0.4 OUTLIER -61.09 -23.41 65.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.846 179.314 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -94.66 -3.59 49.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.049 0.452 . . . . 10.0 110.587 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -104.6 -57.87 1.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.178 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 80.3 p -87.57 -35.68 17.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.752 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 484' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' D' ' 480' ' ' LEU . 40.3 mtt180 64.61 17.55 10.95 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.581 -0.736 . . . . 10.0 111.166 179.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 1.6 m -138.21 122.15 17.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.356 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 16.2 m -60.85 -27.71 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.639 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -69.18 -12.8 61.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.104 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 34.6 mt -107.2 -46.23 7.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 21.8 m -54.48 -49.42 70.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.943 -0.571 . . . . 10.0 112.368 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 3.1 m -60.33 -44.39 95.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.533 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 491' ' ' ASP . . . . . 0.49 ' O ' ' HG2' ' D' ' 495' ' ' GLU . 28.7 t70 -68.29 -42.21 79.83 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 179.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 492' ' ' ASN . . . . . 0.417 ' HB3' ' HB3' ' D' ' 497' ' ' ARG . 17.8 m-20 -51.27 -38.8 54.75 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.415 -0.811 . . . . 10.0 111.544 178.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 92.0 mt -65.51 -43.41 94.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.821 0.343 . . . . 10.0 110.543 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 12.2 mt -66.96 -25.82 66.52 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 495' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' D' ' 491' ' ' ASP . 10.5 mm-40 -80.75 -47.48 13.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.339 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 130.45 13.71 2.05 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.477 -0.868 . . . . 10.0 112.39 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 497' ' ' ARG . . . . . 0.417 ' HB3' ' HB3' ' D' ' 492' ' ' ASN . 18.4 tpp180 -65.82 -41.98 91.16 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.756 -0.831 . . . . 10.0 108.756 178.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 4.4 mp -99.91 118.83 47.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.21 -1.033 . . . . 10.0 108.21 178.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 . . . . . 0 C--N 1.326 -0.456 0 CA-C-O 121.096 0.474 . . . . 10.0 111.301 -179.213 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.479 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 24.1 ptt? . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 110.193 -0.299 . . . . 10.0 110.193 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -95.64 143.21 27.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.743 0.306 . . . . 10.0 111.307 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.5 pt -128.37 154.08 38.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.796 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -107.18 106.32 16.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.573 -0.285 . . . . 10.0 111.037 -179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.5 t -92.78 115.6 31.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.874 -0.417 . . . . 10.0 109.874 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.6 mttt -102.61 133.36 47.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.35 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.3 p -104.78 172.42 6.8 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.024 179.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.8 mt -58.53 -38.76 78.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.477 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.09 -10.49 59.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.775 -0.648 . . . . 10.0 112.218 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.8 0.09 62.49 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.468 -0.872 . . . . 10.0 112.73 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.408 ' HZ1' ' CD ' ' A' ' 34' ' ' GLU . 85.9 tttt -69.75 117.61 11.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.878 0.37 . . . . 10.0 110.021 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -97.93 118.82 35.36 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.426 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.0 mt -109.1 126.29 66.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.69 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.23 113.5 25.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.595 179.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.5 mt -114.75 147.33 39.87 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.54 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -101.14 115.63 30.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.219 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.479 ' O ' ' HG2' ' A' ' 1' ' ' MET . 15.4 m -139.74 175.6 6.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.784 -0.644 . . . . 10.0 109.832 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.466 ' O ' HD13 ' A' ' 56' ' ' LEU . 8.5 mm-40 -127.5 156.07 75.8 Favored Pre-proline 0 C--N 1.32 -0.716 0 N-CA-C 109.281 -0.637 . . . . 10.0 109.281 179.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -51.51 -41.09 61.98 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.364 2.043 . . . . 10.0 112.93 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.62 7.43 4.57 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.737 0.644 . . . . 10.0 112.737 -178.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -80.33 158.82 25.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.914 0.388 . . . . 10.0 110.215 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 m -98.93 145.13 27.34 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.566 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.437 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 46.2 mm -55.92 -37.52 48.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.792 0.33 . . . . 10.0 110.699 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -57.8 -42.22 83.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.697 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.471 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 61.8 t30 -64.0 -36.48 84.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.115 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.7 t -62.92 -42.0 94.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.417 -0.586 . . . . 10.0 109.417 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 5.3 mmmm -61.41 -39.83 92.18 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.589 -0.732 . . . . 10.0 109.622 179.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.6 -39.05 91.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.529 -0.76 . . . . 10.0 110.768 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 58.0 mttt -65.0 -37.14 86.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.095 0.474 . . . . 10.0 110.012 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 95.8 mt -68.95 -35.35 68.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.413 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 64.8 tt0 -71.65 -29.36 64.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.99 178.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -73.16 -35.52 66.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.454 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -84.65 -62.98 1.42 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.82 -0.627 . . . . 10.0 111.725 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.408 ' CD ' ' HZ1' ' A' ' 11' ' ' LYS . 44.0 mm-40 -77.84 -57.72 3.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.003 0.43 . . . . 10.0 111.247 -179.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 116.98 11.45 9.1 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.677 -0.773 . . . . 10.0 112.351 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.9 mt -85.94 125.6 68.1 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -55.5 142.72 80.39 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.521 2.147 . . . . 10.0 112.174 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -56.94 -28.04 75.93 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.008 2.472 . . . . 10.0 112.958 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.32 -22.35 64.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -104.11 6.46 35.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.345 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -99.56 115.93 30.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.862 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -110.14 96.01 5.95 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.992 -0.373 . . . . 10.0 109.992 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.4 mt -90.95 124.55 35.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.227 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 72.6 mt -123.6 135.49 63.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.367 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -127.36 112.21 14.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.513 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.84 28.35 15.88 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.901 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.43 -18.24 57.3 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.84 -0.695 . . . . 10.0 112.826 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -94.63 125.28 39.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 122.809 -0.23 . . . . 10.0 110.474 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -73.51 134.46 43.86 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.091 -0.337 . . . . 10.0 110.091 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.7 mt -82.19 119.66 24.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.513 -179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -84.21 142.15 30.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.86 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -65.16 -18.53 65.38 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.48 0.548 . . . . 10.0 112.48 -178.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.14 11.04 72.74 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.534 -0.841 . . . . 10.0 112.981 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -114.69 165.24 13.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.988 0.423 . . . . 10.0 110.677 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.5 p -104.05 175.67 5.41 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.678 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.466 HD13 ' O ' ' A' ' 18' ' ' GLU . 82.3 mt -72.55 -33.62 66.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.036 0.446 . . . . 10.0 110.256 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -23.13 63.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.827 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -62.25 -38.15 88.18 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.452 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -98.26 6.17 47.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.406 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 61.87 41.94 10.96 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.624 -0.716 . . . . 10.0 111.566 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 84.1 mt -83.47 122.38 37.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.561 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -104.03 -168.0 1.44 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.347 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.0 pttp -75.71 150.2 37.91 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.504 -0.316 . . . . 10.0 110.466 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 65.11 28.31 12.3 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.901 -0.591 . . . . 10.0 111.502 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.0 m -85.49 150.47 24.66 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.187 -0.301 . . . . 10.0 110.187 179.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.2 m -99.87 122.98 43.64 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.103 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -112.35 137.85 49.91 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.804 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.57 123.17 44.41 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.558 -0.292 . . . . 10.0 110.727 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.6 tp -112.82 107.01 15.47 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.994 0.426 . . . . 10.0 110.581 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.4 t -96.75 144.29 10.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.767 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 94.6 mt . . . . . 0 C--N 1.326 -0.423 0 CA-C-O 121.06 0.457 . . . . 10.0 111.465 -179.18 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.465 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 21.5 ptt? . . . . . 0 N--CA 1.482 1.161 0 N-CA-C 110.238 -0.282 . . . . 10.0 110.238 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -108.89 142.07 40.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.635 0.255 . . . . 10.0 110.883 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 21.4 pt -130.07 156.79 42.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.192 -0.67 . . . . 10.0 109.192 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -114.98 111.81 21.72 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.904 0.383 . . . . 10.0 110.905 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 46.0 t -93.4 112.83 27.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.916 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -91.92 123.39 35.25 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.035 0.445 . . . . 10.0 110.537 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.48 155.93 16.53 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.678 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 11.1 mt -58.5 -19.65 39.1 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.523 0.564 . . . . 10.0 112.523 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.11 -7.24 59.66 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.043 0.386 . . . . 10.0 112.043 -179.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.72 21.37 31.41 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.579 -0.819 . . . . 10.0 111.348 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -102.41 137.11 41.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.341 -0.429 . . . . 10.0 110.057 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -114.58 113.54 24.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.916 0.389 . . . . 10.0 110.608 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 12.2 mt -102.68 118.88 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.348 -179.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -89.58 113.52 24.96 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.946 -0.39 . . . . 10.0 109.946 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.7 mt -113.34 146.48 39.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.792 0.33 . . . . 10.0 111.575 -179.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -93.43 116.65 29.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.685 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.465 ' O ' ' HG2' ' B' ' 1' ' ' MET . 15.7 m -136.45 177.1 6.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.516 -179.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.411 ' O ' HD12 ' B' ' 56' ' ' LEU . 7.0 mm-40 -141.42 160.46 56.96 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -48.6 -39.86 37.55 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 123.209 2.606 . . . . 10.0 114.736 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 14.8 m -84.84 6.1 26.05 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.717 0.636 . . . . 10.0 112.717 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -79.11 128.25 33.04 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.865 -0.42 . . . . 10.0 109.865 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.86 149.87 43.15 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.867 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 46.9 mm -58.07 -36.49 57.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.185 0.517 . . . . 10.0 109.802 179.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -58.64 -36.87 74.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.353 -0.839 . . . . 10.0 110.811 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -67.18 -33.66 75.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 10.0 109.981 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 24.7 t -66.63 -39.83 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 109.368 -0.605 . . . . 10.0 109.368 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.443 ' HE3' ' O ' ' B' ' 41' ' ' GLN . 2.0 mmmm -61.32 -42.14 98.19 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.628 -0.714 . . . . 10.0 109.509 179.092 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.04 -38.49 91.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.464 -0.789 . . . . 10.0 110.833 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -64.87 -37.41 87.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.49 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 80.4 mt -70.32 -39.85 77.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.61 -0.515 . . . . 10.0 109.61 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -65.32 -38.21 89.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.662 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -61.8 -36.52 81.36 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.596 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -88.49 -59.45 2.23 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.954 0.724 . . . . 10.0 112.954 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -77.41 -28.93 52.85 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.308 0.855 . . . . 10.0 113.308 -176.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.17 -2.45 78.85 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.592 -0.813 . . . . 10.0 112.513 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 56.0 mt -77.2 121.68 84.98 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 110.274 -0.269 . . . . 10.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.423 ' HB2' ' OE1' ' B' ' 40' ' ' GLN . 45.6 Cg_exo -55.93 140.72 86.15 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.547 2.164 . . . . 10.0 111.95 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 35.0 Cg_exo -60.95 -18.9 60.03 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.213 2.609 . . . . 10.0 113.135 -179.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -63.34 -40.81 98.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.264 -0.426 . . . . 10.0 111.99 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.423 ' OE1' ' HB2' ' B' ' 37' ' ' PRO . 21.0 mp0 -88.95 1.03 56.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.727 0.299 . . . . 10.0 111.605 -179.117 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.443 ' O ' ' HE3' ' B' ' 27' ' ' LYS . 78.4 mt-30 -87.55 110.3 20.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.455 -0.338 . . . . 10.0 111.471 -179.253 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -112.3 101.98 10.16 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.725 -0.843 . . . . 10.0 108.725 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 40.4 mt -78.75 121.38 24.67 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.16 0.505 . . . . 10.0 111.49 -178.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.429 HD11 HD11 ' D' ' 494' ' ' LEU . 1.5 mp -111.35 152.11 13.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.313 -0.858 . . . . 10.0 109.768 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -140.59 89.78 2.3 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.828 -0.349 . . . . 10.0 111.437 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.29 41.92 25.0 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 113.25 0.833 . . . . 10.0 113.25 178.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.36 -21.45 19.53 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.091 -1.052 . . . . 10.0 112.918 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -103.12 179.63 4.22 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.51 0.195 . . . . 10.0 110.877 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -132.51 141.65 48.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.177 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 22.8 mt -92.22 146.32 23.8 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.005 -0.369 . . . . 10.0 110.005 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.437 ' HB2' ' HG2' ' B' ' 54' ' ' ARG . 35.1 mt-10 -109.61 145.29 36.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.826 0.346 . . . . 10.0 110.972 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.01 -28.02 69.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.754 -0.657 . . . . 10.0 112.532 -178.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.39 17.03 50.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.793 -0.718 . . . . 10.0 113.431 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.437 ' HG2' ' HB2' ' B' ' 51' ' ' GLU . 37.3 mmm-85 -121.57 166.26 14.48 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 122.453 -0.439 . . . . 10.0 110.2 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.513 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 76.7 p -110.95 174.75 5.71 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.165 -0.309 . . . . 10.0 110.165 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.411 HD12 ' O ' ' B' ' 18' ' ' GLU . 70.2 mt -69.15 -26.87 65.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.848 0.356 . . . . 10.0 110.668 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.1 m -73.34 -23.59 60.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.276 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.513 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.1 m-20 -58.06 -50.15 74.44 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.257 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -92.64 7.33 43.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.53 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 49.5 t30 57.82 55.83 5.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.293 -0.867 . . . . 10.0 111.22 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 87.8 mt -90.03 124.62 42.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.319 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -100.58 -168.75 1.62 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.951 0.405 . . . . 10.0 111.286 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -78.76 151.52 32.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.02 -0.537 . . . . 10.0 111.025 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 66.94 19.85 10.56 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.685 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 28.3 m -82.17 142.47 32.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.618 -0.265 . . . . 10.0 110.295 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.5 m -97.94 121.99 40.51 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.411 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mp -106.63 149.2 27.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.225 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -103.57 128.25 50.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.339 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 68.4 tp -110.22 104.6 13.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.723 0.297 . . . . 10.0 110.941 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 93.3 t -95.73 134.96 31.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.414 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 75.2 mt -98.56 117.57 33.3 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.097 -0.705 . . . . 10.0 109.097 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.58 ' HB2' ' OD1' ' D' ' 491' ' ' ASP . 1.6 ptm180 . . . . . 0 C--N 1.32 -0.683 0 CA-C-O 120.709 0.29 . . . . 10.0 110.859 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.237 0.406 0 CA-C-O 120.881 0.372 . . . . 10.0 111.295 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -73.38 -38.95 65.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.485 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 60.5 mt -62.56 -39.18 92.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.679 -0.691 . . . . 10.0 110.706 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -65.39 -45.68 83.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.82 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -59.81 -43.94 94.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.959 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 39.0 mtm -64.77 -43.81 92.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.904 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.02 -38.4 90.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.335 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -60.04 -36.8 78.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.018 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 11.0 tp60 -66.25 -34.56 78.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.859 0.361 . . . . 10.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 464' ' ' ILE . . . . . 0.404 ' HA ' ' HE2' ' D' ' 467' ' ' MET . 72.7 mt -71.2 -32.1 46.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.079 0.466 . . . . 10.0 110.258 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -62.11 -31.34 71.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.41 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -70.16 -28.31 65.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.839 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 467' ' ' MET . . . . . 0.465 ' O ' ' HD3' ' D' ' 469' ' ' PRO . 58.5 mtm -85.28 -44.84 12.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.611 -178.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 468' ' ' PHE . . . . . 0.561 ' O ' HG13 ' D' ' 471' ' ' VAL . 1.4 m-30 -114.94 86.65 13.77 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 116.33 -0.395 . . . . 10.0 110.185 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 469' ' ' PRO . . . . . 0.465 ' HD3' ' O ' ' D' ' 467' ' ' MET . 8.6 Cg_exo -71.56 9.81 0.9 Allowed 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 123.037 2.492 . . . . 10.0 113.29 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -119.4 6.59 11.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.537 -0.301 . . . . 10.0 111.608 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 471' ' ' VAL . . . . . 0.561 HG13 ' O ' ' D' ' 468' ' ' PHE . 8.0 p -102.5 134.38 19.97 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 120.637 0.256 . . . . 10.0 111.111 -179.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 472' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -65.99 126.5 15.97 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.518 2.145 . . . . 10.0 111.682 178.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -53.45 -42.81 67.54 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.809 0.67 . . . . 10.0 112.809 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -63.67 -29.56 70.78 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.636 0.236 . . . . 10.0 111.636 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 16.1 mt -74.34 -33.54 63.17 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 21.3 t -67.59 -41.44 85.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.338 -0.616 . . . . 10.0 109.338 178.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . 0.497 ' O ' ' HG3' ' D' ' 481' ' ' GLN . 26.6 mt -65.26 -26.56 68.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.572 -0.74 . . . . 10.0 110.768 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -63.16 -52.47 62.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 479' ' ' ASP . . . . . 0.411 ' HB3' HG22 ' D' ' 489' ' ' THR . 12.6 t70 -67.12 -34.77 78.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.405 -0.362 . . . . 10.0 110.393 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.5 -26.62 63.65 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.219 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 481' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' D' ' 477' ' ' LEU . 65.1 mt-30 -81.58 -23.02 37.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.174 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -93.56 -54.89 3.47 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.233 0.457 . . . . 10.0 112.233 -178.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 70.3 p -87.61 -39.43 15.07 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.263 0.468 . . . . 10.0 112.263 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 64.68 30.35 12.56 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.269 0.557 . . . . 10.0 110.38 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 11.3 m -146.95 119.76 8.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.216 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 2.7 m -57.07 -34.08 44.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 112.197 0.443 . . . . 10.0 112.197 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -60.93 -47.01 88.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.012 0.434 . . . . 10.0 110.337 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 16.5 mt -73.77 -42.56 54.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.716 -0.674 . . . . 10.0 110.802 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 489' ' ' THR . . . . . 0.411 HG22 ' HB3' ' D' ' 479' ' ' ASP . 90.8 m -55.53 -54.11 48.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.42 -0.355 . . . . 10.0 111.855 -179.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 1.4 m -64.98 -36.9 85.87 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.978 -0.289 . . . . 10.0 111.51 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 491' ' ' ASP . . . . . 0.58 ' OD1' ' HB2' ' B' ' 72' ' ' ARG . 23.0 t70 -66.83 -43.75 82.92 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.704 -0.48 . . . . 10.0 109.704 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -56.96 -44.58 82.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.231 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 89.8 mt -67.36 -43.18 87.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.844 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 494' ' ' LEU . . . . . 0.429 HD11 HD11 ' B' ' 44' ' ' ILE . 0.1 OUTLIER -66.69 -30.43 70.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.471 -0.331 . . . . 10.0 111.423 -179.674 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -80.67 -40.7 25.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.308 -0.405 . . . . 10.0 111.377 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 123.58 28.43 1.3 Allowed Glycine 0 CA--C 1.518 0.253 0 C-N-CA 120.294 -0.955 . . . . 10.0 113.263 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -68.24 -27.64 66.53 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.265 0.555 . . . . 10.0 109.983 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 2.9 mp -118.65 123.61 71.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.215 -0.902 . . . . 10.0 108.739 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 . . . . . 0 C--N 1.324 -0.538 0 CA-C-O 121.18 0.514 . . . . 10.0 111.644 -179.585 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.595 0.236 . . . . 10.0 110.368 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -108.09 142.01 38.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.622 -0.263 . . . . 10.0 110.635 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.2 pt -127.28 153.36 36.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.334 -0.394 . . . . 10.0 109.948 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -110.97 103.18 11.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.254 0.55 . . . . 10.0 111.065 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.1 t -92.68 120.48 42.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.686 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -105.24 127.95 53.19 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.238 0.542 . . . . 10.0 111.377 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.36 154.19 18.71 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.594 -0.73 . . . . 10.0 109.349 178.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.409 ' C ' ' HG1' ' A' ' 9' ' ' THR . 31.5 mt -72.58 54.89 0.35 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.077 0.465 . . . . 10.0 111.776 -179.276 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.409 ' HG1' ' C ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -161.51 23.72 0.12 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.181 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.39 38.69 95.21 Favored Glycine 0 C--N 1.334 0.437 0 C-N-CA 121.008 -0.615 . . . . 10.0 112.059 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -118.95 131.29 56.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.509 0.195 . . . . 10.0 110.713 -178.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.0 m -118.8 124.22 46.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.858 0.361 . . . . 10.0 110.661 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.3 mt -118.15 124.89 73.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.081 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -96.96 109.2 21.99 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.855 0.36 . . . . 10.0 110.308 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.2 mt -108.28 153.78 22.74 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.803 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -98.82 126.38 44.45 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.911 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.1 m -143.82 175.11 3.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.218 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 4.7 mm-40 -135.67 164.6 42.29 Favored Pre-proline 0 C--N 1.317 -0.836 0 N-CA-C 108.691 -0.855 . . . . 10.0 108.691 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -53.44 -37.39 81.94 Favored 'Trans proline' 0 CA--C 1.534 0.48 0 C-N-CA 122.267 1.978 . . . . 10.0 112.958 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.09 3.37 30.83 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.417 0.525 . . . . 10.0 112.417 -179.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.431 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.7 OUTLIER -73.07 129.1 37.33 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 109.65 -0.5 . . . . 10.0 109.65 179.681 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.414 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -80.81 147.92 30.23 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.868 -179.462 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.599 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 49.6 mm -58.11 -41.42 80.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.053 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -58.48 -38.71 78.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.675 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.469 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 65.9 t30 -68.21 -36.37 79.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.041 179.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 22' ' ' THR . 59.1 t -63.28 -37.58 79.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.956 -0.565 . . . . 10.0 109.737 179.062 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.599 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 6.7 mmmm -61.36 -40.01 92.72 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.716 -0.675 . . . . 10.0 109.972 179.147 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.98 -38.83 89.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.505 -0.77 . . . . 10.0 110.796 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 52.2 mttt -61.02 -39.67 90.63 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.124 0.488 . . . . 10.0 110.15 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 68.9 mt -70.19 -39.09 76.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.882 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -64.4 -30.69 71.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.796 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -76.69 -38.04 55.11 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.134 0.42 . . . . 10.0 112.134 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -87.04 -37.13 17.75 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.965 0.728 . . . . 10.0 112.965 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -99.72 -33.45 10.58 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.3 0.482 . . . . 10.0 112.3 -178.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.94 0.15 68.84 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.519 -0.848 . . . . 10.0 112.017 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.6 mt -77.94 127.7 81.06 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 110.298 -0.26 . . . . 10.0 110.298 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -61.11 136.63 66.28 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.438 2.092 . . . . 10.0 112.288 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.75 -24.7 72.68 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.808 2.339 . . . . 10.0 112.629 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.52 -22.64 67.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.949 -0.568 . . . . 10.0 111.691 -179.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -108.41 5.38 25.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.868 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.48 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 79.6 mt-30 -94.66 111.67 23.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.05 -179.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.7 mtt180 -112.28 99.84 8.34 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.912 -0.403 . . . . 10.0 109.912 178.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.7 mt -85.48 120.07 26.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.816 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -114.14 132.62 62.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.385 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -125.17 109.83 13.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.079 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.83 15.77 9.31 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.53 -0.759 . . . . 10.0 111.993 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.485 ' HA2' ' HB3' ' D' ' 473' ' ' TYR . . . 114.33 -31.4 6.46 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.599 -0.81 . . . . 10.0 112.725 179.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -84.09 137.91 33.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.887 0.375 . . . . 10.0 110.4 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -82.59 135.94 34.94 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.565 -0.531 . . . . 10.0 109.565 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.9 mt -80.41 133.56 35.9 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.429 -0.35 . . . . 10.0 110.596 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.503 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 3.0 mt-10 -86.38 144.14 27.48 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 179.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.41 -45.95 80.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.928 -0.578 . . . . 10.0 112.333 -178.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.45 43.29 3.18 Favored Glycine 0 CA--C 1.516 0.109 0 C-N-CA 120.758 -0.734 . . . . 10.0 114.234 -178.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.503 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 30.3 mmt180 -133.51 167.48 20.38 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.608 -0.516 . . . . 10.0 109.608 179.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.2 p -109.77 169.38 8.75 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.901 -0.407 . . . . 10.0 109.901 178.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.428 HD11 ' O ' ' A' ' 18' ' ' GLU . 63.4 mt -65.87 -31.62 72.66 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.109 0.48 . . . . 10.0 110.66 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.26 -20.48 63.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.23 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -70.08 -19.75 63.25 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.198 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -116.19 8.29 14.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.603 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t30 63.7 31.76 14.18 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.556 -0.747 . . . . 10.0 111.456 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.1 mt -76.76 122.98 32.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.11 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -111.36 -168.32 1.29 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.532 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -71.42 150.4 45.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.783 0.325 . . . . 10.0 111.491 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 66.2 15.35 10.05 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.418 -0.81 . . . . 10.0 112.413 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.9 m -78.01 139.36 39.12 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.904 0.383 . . . . 10.0 110.248 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.84 130.76 37.55 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.691 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.3 mp -120.44 141.29 50.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.226 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.2 m80 -95.59 121.89 37.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.361 -0.382 . . . . 10.0 111.15 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.6 tp -100.02 97.51 8.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.202 0.525 . . . . 10.0 110.043 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.6 t -88.73 134.99 26.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.381 -0.827 . . . . 10.0 110.752 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.6 mt . . . . . 0 C--N 1.325 -0.499 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 179.044 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.482 1.153 0 N-CA-C 109.914 -0.402 . . . . 10.0 109.914 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -100.84 135.0 42.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.604 0.24 . . . . 10.0 110.678 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 28.0 pt -125.6 153.37 33.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -116.7 110.92 19.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.782 0.325 . . . . 10.0 110.714 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 15.7 t -98.47 113.75 34.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.071 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -96.59 136.82 36.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.868 0.366 . . . . 10.0 110.468 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.8 p -105.76 168.39 9.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.917 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 13.2 mt -61.9 -22.15 65.33 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.057 0.456 . . . . 10.0 110.923 178.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.84 -12.21 60.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.833 -0.621 . . . . 10.0 111.734 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.91 -3.0 62.18 Favored Glycine 0 C--N 1.329 0.16 0 C-N-CA 121.018 -0.61 . . . . 10.0 112.444 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.435 ' HZ1' ' CD ' ' B' ' 34' ' ' GLU . 83.5 tttt -76.69 138.17 39.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.772 0.32 . . . . 10.0 110.953 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.9 m -111.68 107.53 16.67 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.346 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.2 mt -91.16 130.2 40.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.521 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m -99.77 131.58 45.66 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.552 -0.536 . . . . 10.0 109.552 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 88.9 mt -132.11 129.72 40.27 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.837 0.351 . . . . 10.0 111.124 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -87.17 90.76 8.48 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.7 m -114.01 179.9 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.696 -0.683 . . . . 10.0 110.693 -178.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -133.69 154.04 80.42 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 109.295 -0.632 . . . . 10.0 109.295 179.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -53.33 -37.55 81.3 Favored 'Trans proline' 0 N--CA 1.472 0.257 0 C-N-CA 122.761 2.308 . . . . 10.0 113.064 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -6.66 49.11 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 112.789 0.663 . . . . 10.0 112.789 -178.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -76.49 151.28 36.47 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.848 -0.427 . . . . 10.0 109.848 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.46 ' O ' HG21 ' B' ' 26' ' ' VAL . 3.2 p -94.44 151.95 18.97 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.691 -178.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.3 mm -59.14 -37.87 70.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.261 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.27 -42.95 92.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.593 178.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -69.52 -33.69 73.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.57 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.46 HG21 ' O ' ' B' ' 22' ' ' THR . 82.7 t -62.47 -42.81 97.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 178.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -63.96 -33.08 74.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.763 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.64 -35.47 80.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.093 0.473 . . . . 10.0 110.316 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -67.78 -37.04 81.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.188 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 69.5 mt -67.66 -29.21 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.635 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.533 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 62.4 tt0 -72.75 -29.89 63.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.84 178.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -78.38 -42.46 30.26 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.818 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.2 mttt -74.81 -68.1 0.58 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.957 0.408 . . . . 10.0 111.087 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.435 ' CD ' ' HZ1' ' B' ' 11' ' ' LYS . 43.7 mm-40 -73.13 -58.9 2.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.942 -179.221 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.533 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 113.29 25.38 4.41 Favored Glycine 0 C--N 1.32 -0.312 0 C-N-CA 120.622 -0.799 . . . . 10.0 111.937 -178.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 43.2 mt -96.97 129.31 32.77 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.76 -0.22 . . . . 10.0 110.494 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.407 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 42.9 Cg_exo -56.81 133.84 60.63 Favored 'Trans proline' 0 CA--C 1.53 0.302 0 C-N-CA 122.185 1.923 . . . . 10.0 111.71 179.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 37.7 Cg_exo -60.25 -15.02 32.31 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.865 2.376 . . . . 10.0 112.973 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -78.0 -25.12 47.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.801 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -102.21 -2.88 28.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.608 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -83.41 106.42 15.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.801 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.453 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 7.8 mtp180 -100.81 93.16 5.4 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.546 -0.538 . . . . 10.0 109.546 179.145 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 15.1 mt -79.91 128.02 32.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.492 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.2 mp -126.57 137.12 58.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.603 -0.726 . . . . 10.0 109.577 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -129.63 107.28 9.32 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.595 -0.521 . . . . 10.0 109.595 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.5 19.55 11.84 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.997 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.64 -19.19 21.83 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.588 -0.815 . . . . 10.0 113.877 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -108.98 145.91 34.73 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 117.229 0.514 . . . . 10.0 111.455 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -74.72 160.31 30.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.974 -0.557 . . . . 10.0 111.455 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 38.6 mt -111.74 130.43 55.79 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.486 -0.779 . . . . 10.0 109.657 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -78.32 145.36 35.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.752 0.31 . . . . 10.0 110.984 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.19 -51.83 66.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.846 -0.615 . . . . 10.0 111.967 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.61 50.76 4.46 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 121.067 -0.587 . . . . 10.0 113.647 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 84.2 mmt-85 -135.28 155.96 49.76 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.077 -0.342 . . . . 10.0 110.077 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.57 156.77 16.63 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.29 179.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.2 mt -65.36 -31.16 72.13 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.865 0.364 . . . . 10.0 110.627 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.61 -23.17 62.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.088 -0.506 . . . . 10.0 111.175 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -70.59 -29.8 66.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.939 0.4 . . . . 10.0 110.495 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -96.73 6.57 48.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 58.7 t30 63.21 27.64 15.62 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.49 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 67.8 mt -77.08 98.2 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 110.065 -0.346 . . . . 10.0 110.065 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -84.41 -168.83 2.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.75 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -75.7 147.9 39.03 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.424 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 66.9 25.12 9.53 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.35 -0.841 . . . . 10.0 111.963 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.7 m -88.98 143.94 26.51 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.568 -0.287 . . . . 10.0 110.384 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 18.2 m -93.83 123.83 37.44 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.956 0.408 . . . . 10.0 111.24 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -108.1 148.82 29.28 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.028 -0.731 . . . . 10.0 109.028 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.453 ' CD2' ' HG2' ' D' ' 467' ' ' MET . 37.6 m80 -106.63 126.6 52.48 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.851 0.358 . . . . 10.0 110.625 -179.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 60.6 tp -110.51 100.06 8.94 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.924 0.392 . . . . 10.0 110.25 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.453 ' HB ' ' HB2' ' B' ' 42' ' ' ARG . 90.5 t -83.64 130.23 36.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.5 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 22.7 mt -84.42 151.68 24.5 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.494 -0.558 . . . . 10.0 109.494 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 54.4 ttt-85 . . . . . 0 C--N 1.326 -0.413 0 CA-C-O 120.796 0.331 . . . . 10.0 111.609 -178.825 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.718 0.294 . . . . 10.0 111.661 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -65.39 -38.63 90.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 10.0 110.646 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.96 -42.67 99.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.504 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -66.02 -41.45 90.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.852 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.35 -45.55 90.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.452 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 58.3 mtm -64.54 -41.43 96.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.64 -37.16 86.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.031 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -57.09 -45.52 83.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.843 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -58.72 -32.34 69.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.878 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 62.3 mt -77.69 -36.55 22.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.283 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 40.3 tp60 -63.35 -32.41 73.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.296 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -69.44 -24.72 63.86 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.924 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 467' ' ' MET . . . . . 0.453 ' HG2' ' CD2' ' B' ' 68' ' ' HIS . 66.8 mtm -92.87 -37.54 12.22 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.704 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 468' ' ' PHE . . . . . 0.48 ' O ' HG13 ' D' ' 471' ' ' VAL . 17.6 m-85 -118.22 98.56 51.49 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.084 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -78.44 -0.17 10.47 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.708 2.272 . . . . 10.0 112.999 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -119.09 28.7 8.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.577 -0.283 . . . . 10.0 111.583 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 471' ' ' VAL . . . . . 0.48 HG13 ' O ' ' D' ' 468' ' ' PHE . 7.7 p -117.72 132.29 23.7 Favored Pre-proline 0 C--N 1.324 -0.501 0 C-N-CA 121.059 -0.256 . . . . 10.0 110.533 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 472' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' D' ' 471' ' ' VAL . 24.3 Cg_exo -65.8 117.75 4.9 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.35 2.033 . . . . 10.0 111.612 178.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 473' ' ' TYR . . . . . 0.485 ' HB3' ' HA2' ' A' ' 47' ' ' GLY . 33.0 t80 -51.86 -42.02 62.32 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.762 -0.654 . . . . 10.0 112.596 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -66.22 -29.99 70.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.558 0.218 . . . . 10.0 111.303 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 13.7 mt -74.65 -33.93 62.63 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.744 -0.465 . . . . 10.0 109.744 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 476' ' ' VAL . . . . . 0.41 HG23 ' O ' ' D' ' 472' ' ' PRO . 37.1 t -64.99 -41.26 91.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.298 -0.63 . . . . 10.0 109.298 178.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 81.9 mt -64.04 -28.65 69.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.577 -0.738 . . . . 10.0 110.55 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -71.64 -51.3 23.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.376 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -62.03 -37.56 85.38 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.959 -0.385 . . . . 10.0 109.959 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 480' ' ' LEU . . . . . 0.412 ' O ' ' HA ' ' D' ' 484' ' ' ARG . 0.2 OUTLIER -59.82 -22.78 62.7 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.846 -0.615 . . . . 10.0 111.134 179.317 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -91.08 -16.75 27.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.62 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -93.63 -51.86 4.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.959 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 65.1 p -88.49 -38.35 15.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.078 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 484' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' D' ' 480' ' ' LEU . 4.3 mtt180 65.03 31.63 11.02 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.561 -0.745 . . . . 10.0 111.587 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.39 120.96 4.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.202 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 6.5 m -62.24 -26.01 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.221 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -75.61 0.57 17.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.237 0.541 . . . . 10.0 110.838 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 67.6 mt -121.87 -41.05 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.592 178.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 489' ' ' THR . . . . . 0.425 ' O ' HG13 ' D' ' 493' ' ' ILE . 81.6 m -57.3 -57.5 12.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 10.0 111.933 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.16 -40.03 80.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.997 0.427 . . . . 10.0 110.954 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -66.99 -43.41 83.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.91 -0.587 . . . . 10.0 110.201 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -54.36 -34.5 61.28 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.453 179.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 493' ' ' ILE . . . . . 0.425 HG13 ' O ' ' D' ' 489' ' ' THR . 54.5 mt -71.13 -45.07 73.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.036 0.446 . . . . 10.0 110.297 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 5.8 mt -66.91 -36.36 82.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.723 -0.672 . . . . 10.0 111.43 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -71.22 -47.2 58.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.526 -0.306 . . . . 10.0 110.467 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 127.69 93.94 0.82 Allowed Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.686 -0.768 . . . . 10.0 112.406 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -159.12 -49.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.912 0.387 . . . . 10.0 110.056 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 1.9 mp -69.37 136.02 27.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.771 -0.649 . . . . 10.0 109.984 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.915 -179.797 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.655 0.264 . . . . 10.0 110.626 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 -106.97 137.34 45.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.407 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.5 pt -125.49 164.82 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.636 -0.256 . . . . 10.0 110.332 178.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -119.68 126.32 50.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.895 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.4 t -116.02 124.07 71.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.491 -0.559 . . . . 10.0 109.491 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.49 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 38.2 ttmt -107.75 127.47 53.72 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.995 0.426 . . . . 10.0 111.69 -178.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.75 176.1 7.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.824 179.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 92.3 mt -65.58 -19.99 66.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.387 -0.37 . . . . 10.0 111.699 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.54 0.12 47.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.799 0.333 . . . . 10.0 111.418 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.33 22.74 62.17 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.688 -0.768 . . . . 10.0 111.611 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.49 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 80.7 tttt -95.81 126.17 40.89 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.209 -0.293 . . . . 10.0 110.209 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -105.1 115.78 30.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.015 0.436 . . . . 10.0 110.799 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.0 mt -104.76 137.72 32.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.524 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.4 m -98.11 127.27 43.96 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.97 -0.382 . . . . 10.0 109.97 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.4 mt -124.05 148.92 46.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.749 0.309 . . . . 10.0 111.435 -179.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -98.07 117.37 32.28 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.357 -0.609 . . . . 10.0 109.357 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.9 m -142.19 173.26 7.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.189 -0.459 . . . . 10.0 110.94 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.487 ' O ' HD11 ' A' ' 56' ' ' LEU . 19.0 mm-40 -130.22 155.16 81.26 Favored Pre-proline 0 C--N 1.321 -0.65 0 N-CA-C 108.861 -0.792 . . . . 10.0 108.861 178.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.18 -30.11 59.58 Favored 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 122.683 2.255 . . . . 10.0 112.965 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 p -81.1 -2.21 47.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.304 -0.407 . . . . 10.0 112.061 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 3.0 t0 -73.45 147.5 44.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.032 0.444 . . . . 10.0 111.106 -179.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.29 146.49 23.67 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.518 -0.765 . . . . 10.0 110.665 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.429 HG12 ' O ' ' A' ' 54' ' ' ARG . 39.1 mm -56.83 -41.2 75.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 10.0 110.856 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -58.71 -38.79 79.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.619 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.4 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 65.5 t30 -69.74 -34.81 74.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.961 0.41 . . . . 10.0 110.416 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.5 t -62.86 -43.11 98.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.505 -0.554 . . . . 10.0 109.505 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -65.53 -34.23 77.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.952 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.43 -35.08 79.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.925 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 89.6 mttt -69.84 -35.61 74.88 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.611 178.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.4 mt -69.12 -35.38 68.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 116.033 -0.53 . . . . 10.0 109.794 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -64.78 -28.23 69.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.769 -0.651 . . . . 10.0 110.643 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -81.6 -21.31 38.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.049 0.452 . . . . 10.0 110.964 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -91.46 -50.28 5.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.709 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.421 ' CD ' ' HZ3' ' A' ' 11' ' ' LYS . 37.4 mm-40 -93.59 -41.64 9.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.736 -178.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.5 -2.12 36.89 Favored Glycine 0 C--N 1.321 -0.251 0 C-N-CA 120.652 -0.785 . . . . 10.0 111.54 -178.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 29.4 mt -75.07 129.22 83.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.433 -0.384 . . . . 10.0 110.846 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -63.39 145.12 92.32 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.474 2.116 . . . . 10.0 111.837 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -60.52 -19.28 58.79 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.72 2.28 . . . . 10.0 112.2 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.09 -28.61 69.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.233 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -109.3 15.05 23.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.683 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -103.32 106.47 16.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.5 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -111.23 102.97 11.35 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.543 -0.54 . . . . 10.0 109.543 178.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.2 mt -86.37 125.67 33.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.197 0.522 . . . . 10.0 111.428 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 56.5 mt -122.16 124.55 71.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.147 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -109.52 102.62 11.47 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.863 0.363 . . . . 10.0 110.889 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.78 32.41 21.86 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.569 -0.742 . . . . 10.0 112.326 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.75 -20.99 43.96 Favored Glycine 0 C--O 1.229 -0.211 0 C-N-CA 120.601 -0.809 . . . . 10.0 112.415 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.8 mtmt -92.73 111.87 23.63 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.147 -0.316 . . . . 10.0 110.147 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.52 136.01 50.84 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.092 -0.336 . . . . 10.0 110.092 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.1 mt -87.79 144.91 26.36 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.763 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.489 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 0.4 OUTLIER -102.2 137.67 40.16 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.457 -0.572 . . . . 10.0 109.457 179.089 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -49.06 -45.52 43.11 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.02 0.748 . . . . 10.0 113.02 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.12 33.74 3.11 Favored Glycine 0 CA--C 1.52 0.393 0 C-N-CA 121.056 -0.592 . . . . 10.0 114.186 -178.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.489 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 22.0 mmt180 -127.26 165.13 20.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 117.159 0.48 . . . . 10.0 110.068 179.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.463 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 58.7 p -107.48 169.44 8.58 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.56 -0.291 . . . . 10.0 110.576 179.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.487 HD11 ' O ' ' A' ' 18' ' ' GLU . 95.9 mt -67.08 -29.29 69.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.157 0.503 . . . . 10.0 110.183 179.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.4 m -73.15 -17.77 61.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.741 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.463 ' HB2' ' O ' ' A' ' 55' ' ' THR . 2.6 m-20 -68.17 -28.19 67.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.994 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -112.08 5.85 18.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.758 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 t30 60.13 48.81 7.99 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.689 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 82.0 mt -86.73 111.18 21.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.749 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -91.54 -171.89 3.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.85 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.4 pttt -74.17 151.09 40.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 68.05 18.16 9.46 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.709 -0.678 . . . . 10.0 112.394 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.6 m -78.98 147.48 32.92 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.911 -0.316 . . . . 10.0 110.166 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 m -105.59 118.54 36.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.133 0.492 . . . . 10.0 111.324 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -105.75 144.36 32.6 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.646 -0.706 . . . . 10.0 109.285 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -104.09 133.7 48.58 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 110.108 -0.33 . . . . 10.0 110.108 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.0 tp -112.59 112.38 23.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.957 0.408 . . . . 10.0 110.908 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.6 t -105.11 136.6 38.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.936 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 71.8 mt . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.654 -179.89 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptt? . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 120.616 0.246 . . . . 10.0 110.449 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -98.97 128.44 45.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.64 -0.255 . . . . 10.0 110.433 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 36.9 pt -117.66 164.04 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.151 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.403 ' O ' ' HA ' ' B' ' 66' ' ' THR . 85.8 m-85 -123.56 121.91 36.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.036 0.446 . . . . 10.0 111.117 -179.199 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 84.4 t -100.5 119.76 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.15 -0.477 . . . . 10.0 109.778 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 10.1 tttp -97.46 127.65 43.6 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.143 0.497 . . . . 10.0 110.769 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.95 156.5 17.97 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.609 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 56.8 mt -64.43 -14.22 55.6 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.881 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.04 10.0 20.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.156 -0.475 . . . . 10.0 111.216 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.17 42.93 49.32 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.665 -0.779 . . . . 10.0 111.276 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 32.4 tttp -120.02 145.0 47.23 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.629 -0.285 . . . . 10.0 110.453 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -125.96 96.49 4.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.01 0.433 . . . . 10.0 110.512 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 53.7 mt -85.89 135.99 23.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.468 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 3.6 m -100.48 122.2 42.81 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.206 -0.294 . . . . 10.0 110.206 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 53.3 mt -115.08 135.97 53.63 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.219 0.533 . . . . 10.0 111.246 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -97.05 101.27 12.8 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.386 -0.825 . . . . 10.0 108.915 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 6.8 m -134.81 175.04 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.152 0.501 . . . . 10.0 111.63 -178.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.483 ' O ' HD12 ' B' ' 56' ' ' LEU . 25.2 mm-40 -127.32 154.27 77.1 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.64 -27.92 53.6 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.739 2.293 . . . . 10.0 113.01 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.37 -12.59 60.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.103 -0.498 . . . . 10.0 112.02 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -75.28 152.55 38.23 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.898 0.38 . . . . 10.0 110.325 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.489 ' O ' HG21 ' B' ' 26' ' ' VAL . 18.1 p -96.73 152.04 19.06 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.159 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 41.7 mm -55.55 -40.03 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.43 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -58.96 -43.12 91.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.609 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -71.28 -24.71 62.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.587 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.489 HG21 ' O ' ' B' ' 22' ' ' THR . 94.6 t -72.7 -43.55 61.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 178.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -62.91 -34.05 76.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.506 179.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.16 -33.87 75.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.672 179.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -69.82 -36.8 75.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.937 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 56.8 mt -69.38 -32.64 54.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 109.284 -0.635 . . . . 10.0 109.284 178.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.422 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 53.0 tt0 -69.22 -32.35 71.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.509 -0.769 . . . . 10.0 109.977 178.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -74.27 -40.54 62.25 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.562 179.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -73.47 -62.41 1.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.95 -0.568 . . . . 10.0 112.461 -179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -83.41 -46.37 12.61 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.261 0.467 . . . . 10.0 112.261 -178.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.422 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 108.98 9.48 26.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.468 -0.872 . . . . 10.0 112.169 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.0 mt -84.11 126.08 70.89 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 110.471 -0.196 . . . . 10.0 110.471 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.71 139.31 77.1 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.791 2.328 . . . . 10.0 112.115 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -61.73 -17.2 53.45 Favored 'Trans proline' 0 CA--C 1.533 0.436 0 C-N-CA 122.773 2.316 . . . . 10.0 112.758 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -69.96 -33.22 71.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.1 0.476 . . . . 10.0 110.68 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -92.39 -4.34 53.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.689 -0.687 . . . . 10.0 110.68 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -87.47 103.38 15.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.425 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -107.76 100.5 9.87 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.566 -0.531 . . . . 10.0 109.566 178.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 75.5 mt -86.99 124.47 33.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.043 0.449 . . . . 10.0 111.281 -179.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mp -118.37 134.43 61.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.646 -0.706 . . . . 10.0 109.955 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -131.45 126.33 34.78 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.085 -0.507 . . . . 10.0 109.71 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.31 23.45 13.68 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.745 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.93 9.41 67.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.854 -0.688 . . . . 10.0 113.057 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -125.31 143.63 50.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.666 0.233 . . . . 10.0 110.389 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -80.4 145.13 32.14 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.85 0.357 . . . . 10.0 110.838 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 13.4 mt -98.63 143.09 29.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.069 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -91.86 148.28 22.34 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.01 -0.367 . . . . 10.0 110.01 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.38 -50.83 72.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.057 -0.52 . . . . 10.0 112.053 -179.18 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.17 54.0 4.82 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 121.179 -0.534 . . . . 10.0 113.392 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -141.61 158.86 43.3 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.442 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 76.5 p -99.77 163.51 12.44 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.72 -0.474 . . . . 10.0 109.72 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.483 HD12 ' O ' ' B' ' 18' ' ' GLU . 89.4 mt -64.5 -32.12 73.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.1 0.476 . . . . 10.0 110.149 179.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.65 -23.79 63.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.791 -0.64 . . . . 10.0 111.361 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.442 ' HB2' ' O ' ' B' ' 55' ' ' THR . 3.8 m-20 -62.27 -38.3 88.78 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.967 0.413 . . . . 10.0 111.551 -179.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -99.12 12.88 34.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.726 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 59.87 36.3 21.87 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.064 0.459 . . . . 10.0 110.913 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 81.7 mt -77.26 124.39 35.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.402 -0.592 . . . . 10.0 109.402 179.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -113.2 -170.79 1.75 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.27 0.557 . . . . 10.0 111.722 -178.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 44.9 pttt -68.97 145.18 53.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.391 -0.822 . . . . 10.0 110.753 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 63.15 14.98 8.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.584 -0.734 . . . . 10.0 112.976 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 73.1 m -78.25 144.96 35.74 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 4.5 m -94.18 126.63 39.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.292 0.568 . . . . 10.0 112.286 -178.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 mp -107.44 115.89 30.96 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.673 -0.862 . . . . 10.0 108.673 178.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.489 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 42.7 m80 -79.39 120.63 24.09 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.722 0.296 . . . . 10.0 110.732 -179.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 54.4 tp -98.99 105.39 17.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.889 0.376 . . . . 10.0 110.586 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 93.6 t -92.63 131.88 38.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.134 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 46.0 mt -97.01 109.99 22.63 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.111 -0.329 . . . . 10.0 110.111 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.406 ' HA ' ' CG ' ' D' ' 491' ' ' ASP . 12.9 ttm180 . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.382 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.926 0.393 . . . . 10.0 111.332 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -68.52 -34.52 76.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 10.0 110.904 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 74.7 mt -63.31 -46.86 84.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.033 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 -63.68 -40.28 96.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.055 -0.521 . . . . 10.0 110.724 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.27 -45.89 91.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.847 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 71.6 mtm -66.24 -35.73 81.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.649 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.92 -34.23 77.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.486 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 61.4 t60 -60.62 -37.81 82.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.079 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -63.66 -34.55 78.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.655 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 72.1 mt -74.74 -33.03 29.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.32 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -65.59 -22.0 66.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.999 0.428 . . . . 10.0 110.329 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -77.39 -20.81 54.12 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.969 -0.559 . . . . 10.0 109.893 178.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 467' ' ' MET . . . . . 0.489 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 35.2 mmm -96.8 -48.04 5.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.534 -0.757 . . . . 10.0 110.083 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 468' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -124.57 91.87 48.81 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.761 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -85.96 20.21 1.27 Allowed 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.424 2.082 . . . . 10.0 112.039 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -118.76 18.95 13.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.2 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 471' ' ' VAL . . . . . . . . . . . . . 7.5 p -126.75 128.71 24.21 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 109.965 -0.384 . . . . 10.0 109.965 179.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 472' ' ' PRO . . . . . 0.429 ' HB3' ' CE1' ' D' ' 474' ' ' HIS . 52.2 Cg_exo -53.97 127.12 24.34 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 122.823 2.349 . . . . 10.0 113.128 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -51.23 -44.84 61.76 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.414 -0.812 . . . . 10.0 112.101 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 474' ' ' HIS . . . . . 0.429 ' CE1' ' HB3' ' D' ' 472' ' ' PRO . 26.9 p-80 -63.22 -30.28 71.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.816 -179.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 28.9 mt -78.58 -33.28 47.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.678 0.275 . . . . 10.0 110.289 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 476' ' ' VAL . . . . . 0.406 HG23 ' O ' ' D' ' 472' ' ' PRO . 59.9 t -63.83 -42.43 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.285 0.564 . . . . 10.0 109.505 178.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 57.3 mt -61.89 -24.8 67.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.357 -0.838 . . . . 10.0 111.504 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -63.76 -46.65 84.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.48 -0.327 . . . . 10.0 111.008 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -70.15 -30.89 68.15 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.729 -0.471 . . . . 10.0 109.729 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -64.92 -25.01 67.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.28 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -91.42 -1.09 57.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.975 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.14 -58.38 2.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.624 -0.716 . . . . 10.0 110.949 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 483' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' D' ' 484' ' ' ARG . 82.7 p -90.93 -36.41 14.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.864 0.364 . . . . 10.0 111.173 -179.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 484' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' D' ' 483' ' ' THR . 8.1 mpt_? 68.93 22.87 6.91 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.315 -179.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.84 116.06 7.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.282 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 29.3 m -55.81 -25.76 19.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.948 -0.569 . . . . 10.0 112.505 -178.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -60.1 -58.77 7.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 6.6 mt -70.19 -24.52 26.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.128 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 489' ' ' THR . . . . . 0.437 ' O ' HG13 ' D' ' 493' ' ' ILE . 93.3 m -63.79 -55.96 19.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.97 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 1.5 m -61.6 -32.19 72.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.341 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 491' ' ' ASP . . . . . 0.406 ' CG ' ' HA ' ' B' ' 72' ' ' ARG . 35.4 t0 -67.78 -49.66 61.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.218 -0.901 . . . . 10.0 109.494 178.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -57.85 -36.57 72.5 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.832 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 493' ' ' ILE . . . . . 0.437 HG13 ' O ' ' D' ' 489' ' ' THR . 88.2 mt -62.41 -44.91 99.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 121.101 0.477 . . . . 10.0 110.019 179.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.12 -29.33 68.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.865 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -73.66 -41.18 63.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.98 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 126.65 25.43 1.26 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.394 -0.908 . . . . 10.0 112.9 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -74.36 -64.94 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.562 -0.533 . . . . 10.0 109.562 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 4.4 mp -78.74 125.31 38.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.405 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 . . . . . 0 C--N 1.328 -0.368 0 CA-C-O 120.971 0.415 . . . . 10.0 110.638 -179.534 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.41 ' HB2' ' HB3' ' A' ' 63' ' ' LYS . 26.6 ptt? . . . . . 0 N--CA 1.477 0.91 0 N-CA-C 110.251 -0.277 . . . . 10.0 110.251 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -108.0 146.56 32.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.913 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.1 pt -132.19 162.75 39.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.021 178.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.453 ' O ' ' HA ' ' A' ' 66' ' ' THR . 86.5 m-85 -118.02 107.41 14.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.752 0.311 . . . . 10.0 110.903 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 13' ' ' ILE . 50.0 t -96.94 117.19 41.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.844 -0.428 . . . . 10.0 109.844 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 17.8 mttp -103.09 121.74 43.22 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.288 0.566 . . . . 10.0 111.603 -179.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.65 162.93 16.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.5 -0.773 . . . . 10.0 110.393 179.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.8 mt -57.27 -28.91 63.4 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.774 0.321 . . . . 10.0 111.853 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.56 4.12 12.01 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.185 0.439 . . . . 10.0 112.185 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.08 40.31 25.17 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.69 -0.767 . . . . 10.0 111.805 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 44.5 tttp -113.04 125.23 54.16 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.904 -0.148 . . . . 10.0 110.707 -179.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.4 m -100.86 111.61 23.87 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.926 0.393 . . . . 10.0 110.2 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 5' ' ' VAL . 0.7 OUTLIER -99.57 123.6 52.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.87 -179.512 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.28 110.11 20.92 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.756 -0.461 . . . . 10.0 109.756 178.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.1 mt -115.53 143.9 44.65 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.089 0.471 . . . . 10.0 111.694 -178.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -95.02 121.86 37.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.381 -0.827 . . . . 10.0 109.445 179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.5 m -143.84 -179.31 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.918 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -141.88 155.17 66.06 Favored Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 108.565 -0.902 . . . . 10.0 108.565 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.06 -32.57 69.72 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.339 2.026 . . . . 10.0 112.927 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.46 7.23 20.45 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.204 0.446 . . . . 10.0 112.204 -179.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -85.61 139.89 31.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.752 0.31 . . . . 10.0 110.252 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.51 144.45 31.32 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.743 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.7 mm -56.87 -39.47 65.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.109 0.48 . . . . 10.0 110.056 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -56.73 -38.61 72.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.266 -0.879 . . . . 10.0 110.66 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -67.78 -37.23 81.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.022 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.408 ' O ' HG13 ' A' ' 30' ' ' ILE . 40.3 t -63.67 -39.76 86.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.911 -0.586 . . . . 10.0 109.854 179.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -60.44 -40.19 90.22 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.433 0.635 . . . . 10.0 109.969 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.11 -35.67 80.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.421 -0.808 . . . . 10.0 110.558 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.01 -36.84 85.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.165 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 26' ' ' VAL . 59.5 mt -73.15 -32.8 40.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 121.433 0.635 . . . . 10.0 109.77 178.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -64.28 -39.51 94.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.379 -0.828 . . . . 10.0 110.629 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -72.96 -15.54 61.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.04 0.448 . . . . 10.0 111.014 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -87.66 -69.99 0.65 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.206 0.447 . . . . 10.0 112.206 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -94.06 -6.9 44.11 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.695 0.628 . . . . 10.0 112.695 -177.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.33 28.63 59.6 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.362 -0.923 . . . . 10.0 112.126 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.7 mt -93.9 122.38 62.19 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 110.309 -0.256 . . . . 10.0 110.309 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -56.37 131.1 43.69 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.478 2.119 . . . . 10.0 111.901 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.86 -33.3 81.2 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 123.168 2.579 . . . . 10.0 113.174 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -67.02 -20.33 65.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.186 0.517 . . . . 10.0 111.066 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -103.06 8.82 38.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.935 0.398 . . . . 10.0 110.614 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -101.24 129.43 47.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.112 -0.494 . . . . 10.0 110.75 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.421 ' HB3' ' HB ' ' A' ' 70' ' ' VAL . 32.8 ttt180 -126.51 98.38 5.39 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.661 -0.496 . . . . 10.0 109.661 178.34 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 65.9 mt -87.32 131.14 34.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.88 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 74.9 mt -125.43 133.71 68.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.526 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -126.93 115.88 19.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.106 -0.497 . . . . 10.0 109.846 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.18 23.46 13.66 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.861 -0.609 . . . . 10.0 112.215 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.21 -4.13 64.67 Favored Glycine 0 CA--C 1.517 0.199 0 C-N-CA 120.779 -0.724 . . . . 10.0 112.868 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -105.66 138.98 40.95 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.969 -0.382 . . . . 10.0 109.969 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -82.18 141.06 33.36 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.232 -0.284 . . . . 10.0 110.232 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.4 mt -93.3 128.67 39.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.608 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -88.71 144.84 26.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.458 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -63.95 -27.28 69.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.405 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.77 33.56 4.77 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.624 -0.798 . . . . 10.0 112.97 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.8 mmt-85 -132.7 162.29 31.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.816 0.308 . . . . 10.0 110.328 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.642 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 0.2 OUTLIER -98.34 164.57 12.24 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 179.491 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 23.1 mt -64.46 -39.04 93.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.916 0.388 . . . . 10.0 111.305 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 p -69.05 -16.09 63.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.041 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.642 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.0 OUTLIER -62.83 -31.66 72.71 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.093 0.473 . . . . 10.0 110.726 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -107.68 16.53 23.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.996 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.9 t30 62.66 26.27 15.57 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.231 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.6 mt -76.47 113.22 15.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.064 0.459 . . . . 10.0 110.244 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -108.68 -160.6 0.73 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.732 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.41 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 17.3 pttp -76.15 148.16 38.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.974 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 60.76 43.26 12.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.767 -0.651 . . . . 10.0 111.537 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.1 m -106.1 143.23 34.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.506 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 18.4 m -98.4 125.57 43.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.007 0.432 . . . . 10.0 111.203 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 mp -115.05 145.73 42.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.596 -0.729 . . . . 10.0 109.479 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -98.56 134.39 41.58 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.562 0.22 . . . . 10.0 110.467 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.8 tp -116.17 105.26 12.38 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.003 0.43 . . . . 10.0 110.832 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.421 ' HB ' ' HB3' ' A' ' 42' ' ' ARG . 42.2 t -97.05 133.32 39.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.728 179.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 66.4 mt . . . . . 0 C--N 1.325 -0.499 0 CA-C-O 120.793 0.33 . . . . 10.0 111.091 -179.543 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.486 1.342 0 N-CA-C 109.886 -0.413 . . . . 10.0 109.886 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -119.15 152.09 37.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.03 0.443 . . . . 10.0 111.505 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 19.3 pt -130.62 162.03 39.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.533 -0.758 . . . . 10.0 110.064 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.481 ' O ' ' HA ' ' B' ' 66' ' ' THR . 80.1 m-85 -107.71 117.01 32.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.74 0.305 . . . . 10.0 110.908 -179.296 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 46.7 t -99.57 118.51 46.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.803 -0.443 . . . . 10.0 109.803 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -102.59 132.95 48.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.026 0.441 . . . . 10.0 111.049 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.89 154.23 22.42 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.552 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 61.7 mt -61.51 -20.22 62.96 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.764 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.51 4.14 22.32 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.597 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.12 46.43 10.33 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.717 -0.754 . . . . 10.0 111.436 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 13.4 tttp -126.18 141.15 52.05 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.081 -0.34 . . . . 10.0 110.081 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.6 m -125.44 115.47 20.32 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.329 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 22.2 mt -113.25 132.65 61.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.527 -0.306 . . . . 10.0 110.798 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.25 122.61 41.62 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.821 0.344 . . . . 10.0 110.178 178.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 66.0 mt -119.93 146.39 45.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.427 -0.351 . . . . 10.0 111.54 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -86.49 120.38 27.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.863 -0.608 . . . . 10.0 109.464 178.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 14.6 m -134.48 174.4 13.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.013 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -130.81 160.04 68.41 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.273 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -62.44 -22.66 74.35 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.252 1.968 . . . . 10.0 112.006 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.67 9.95 42.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.939 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -77.11 141.1 40.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.005 0.431 . . . . 10.0 110.723 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 16.3 m -94.87 144.52 25.59 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.646 -0.706 . . . . 10.0 110.704 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.53 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 45.5 mm -53.88 -41.49 49.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.455 -0.339 . . . . 10.0 110.698 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -57.39 -39.72 76.7 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.647 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -67.44 -37.18 82.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.114 -0.494 . . . . 10.0 109.68 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 67.1 t -64.1 -39.19 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.87 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' B' ' 23' ' ' ILE . 9.9 mmmm -60.0 -41.39 91.98 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.838 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.66 -35.96 82.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.298 -0.864 . . . . 10.0 110.787 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.12 -46.25 84.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.344 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 61.8 mt -64.44 -36.92 78.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-O 121.294 0.569 . . . . 10.0 110.161 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -61.97 -38.25 87.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.751 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -77.19 -16.03 59.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.463 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -93.62 -62.26 1.39 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.909 0.337 . . . . 10.0 111.909 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -87.93 -21.22 25.04 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.648 0.61 . . . . 10.0 112.648 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.24 37.29 15.41 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.296 -0.954 . . . . 10.0 112.56 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.4 mt -114.33 126.32 28.13 Favored Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 109.967 -0.383 . . . . 10.0 109.967 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.466 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 50.2 Cg_exo -53.42 139.55 64.94 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.819 2.346 . . . . 10.0 112.568 179.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 16.7 Cg_exo -67.37 -5.75 14.71 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.295 2.663 . . . . 10.0 113.725 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -78.82 -43.43 25.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.059 0.457 . . . . 10.0 110.933 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.41 ' OE1' ' HB2' ' B' ' 37' ' ' PRO . 22.8 mp0 -82.53 -7.1 59.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.981 -0.554 . . . . 10.0 111.076 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -81.11 109.71 15.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.019 -0.537 . . . . 10.0 112.231 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -107.63 108.19 19.34 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.73 -0.841 . . . . 10.0 108.73 177.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 42.0 mt -90.31 119.36 30.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.904 0.383 . . . . 10.0 111.27 -178.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mp -116.33 142.2 30.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.901 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -134.38 108.86 8.41 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.297 -0.411 . . . . 10.0 110.09 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.65 19.34 11.27 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.852 -0.613 . . . . 10.0 112.205 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.28 -14.64 33.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.697 -0.763 . . . . 10.0 113.167 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -104.91 138.31 41.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.674 0.237 . . . . 10.0 110.369 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.414 HE21 ' HB3' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -81.58 144.21 31.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.8 0.333 . . . . 10.0 110.436 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 23.4 mt -95.12 126.68 40.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.957 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.514 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 17.6 mt-10 -73.71 138.25 44.54 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.878 -0.786 . . . . 10.0 108.878 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.32 -42.0 81.03 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.399 0.518 . . . . 10.0 112.399 -178.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.52 47.09 3.75 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.616 -0.802 . . . . 10.0 113.804 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.514 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 28.6 mmt180 -132.51 165.31 24.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.845 0.355 . . . . 10.0 110.353 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 1.8 m -97.74 156.73 16.43 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.925 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 55.0 mt -59.99 -48.25 82.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.987 0.422 . . . . 10.0 110.935 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.0 m -70.33 -7.93 46.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.588 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.81 -33.5 72.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.232 0.539 . . . . 10.0 109.569 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -100.17 14.7 29.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.444 -0.798 . . . . 10.0 110.396 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 65.52 24.28 11.82 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.466 -0.788 . . . . 10.0 111.4 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 86.4 mt -71.08 123.43 25.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.057 0.456 . . . . 10.0 109.813 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -110.75 -167.03 1.13 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.273 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -74.31 151.99 39.71 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.587 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 64.02 15.61 9.34 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.558 0.577 . . . . 10.0 112.558 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 40.0 m -75.32 146.24 41.12 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.071 -0.344 . . . . 10.0 110.071 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.481 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 4.5 m -99.44 117.36 33.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.074 0.464 . . . . 10.0 111.339 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.5 mp -99.71 128.84 45.8 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.628 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.517 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 41.1 m80 -89.91 114.31 26.08 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.485 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.0 tp -96.83 108.03 20.63 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.911 0.386 . . . . 10.0 110.654 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 90.2 t -102.22 128.08 55.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.218 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 79.8 mt -104.56 125.51 50.77 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 CA-C-O 121.206 0.526 . . . . 10.0 111.481 -179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 120.986 0.422 . . . . 10.0 110.75 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -67.95 -37.56 81.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.517 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 57.6 mt -66.32 -41.95 88.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.689 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -64.75 -40.17 94.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.068 0.461 . . . . 10.0 110.47 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -67.4 -42.35 83.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.622 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 37.1 mtm -65.65 -39.55 91.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.9 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.87 -37.64 85.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.742 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 462' ' ' HIS . . . . . 0.46 ' O ' ' HG3' ' D' ' 466' ' ' GLU . 69.0 t60 -58.25 -44.4 88.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.107 179.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 463' ' ' GLN . . . . . 0.473 ' O ' ' HG2' ' D' ' 467' ' ' MET . 26.4 tp60 -60.06 -40.58 89.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.657 -0.701 . . . . 10.0 110.883 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 69.7 mt -72.4 -40.02 63.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.075 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 43.0 tp60 -59.43 -28.17 66.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.755 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' D' ' 462' ' ' HIS . 22.3 mt-10 -76.3 -21.27 56.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.663 179.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 467' ' ' MET . . . . . 0.517 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 34.9 mmm -89.41 -33.46 16.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.443 0.639 . . . . 10.0 109.754 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 468' ' ' PHE . . . . . 0.407 ' O ' HG13 ' D' ' 471' ' ' VAL . 4.6 m-85 -128.37 85.11 61.27 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.627 -0.715 . . . . 10.0 110.741 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -82.76 31.24 0.52 Allowed 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.72 2.28 . . . . 10.0 112.397 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -135.15 14.45 3.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.083 -179.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 471' ' ' VAL . . . . . 0.407 HG13 ' O ' ' D' ' 468' ' ' PHE . 10.5 p -121.17 132.42 24.22 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.351 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 472' ' ' PRO . . . . . 0.423 ' HB3' ' CE1' ' D' ' 474' ' ' HIS . 58.1 Cg_exo -53.16 120.71 8.15 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.687 2.258 . . . . 10.0 112.432 179.177 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -54.8 -37.5 66.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.332 -0.849 . . . . 10.0 112.614 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 474' ' ' HIS . . . . . 0.423 ' CE1' ' HB3' ' D' ' 472' ' ' PRO . 49.5 p-80 -65.7 -27.82 68.62 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 121.051 -0.26 . . . . 10.0 111.491 -179.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 74.6 mt -79.08 -32.52 44.73 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.923 -0.399 . . . . 10.0 109.923 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 51.6 t -64.66 -42.73 95.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.466 0.651 . . . . 10.0 109.487 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 47.1 mt -63.79 -25.88 68.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.764 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.04 -47.1 66.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.344 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -67.44 -32.58 73.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.344 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.29 -24.33 66.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.714 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -95.91 3.46 53.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.462 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -112.62 -54.81 2.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.238 -179.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 67.3 p -92.79 -39.92 10.96 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.836 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 65.35 35.86 7.27 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.449 -0.796 . . . . 10.0 111.354 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 1.7 t -147.79 123.4 10.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.997 -0.547 . . . . 10.0 109.828 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 15.6 m -60.61 -32.98 52.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.975 0.417 . . . . 10.0 111.124 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -68.03 -47.93 67.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.664 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 488' ' ' ILE . . . . . 0.41 ' O ' ' HB2' ' D' ' 492' ' ' ASN . 61.2 mt -71.99 -43.52 67.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.762 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 52.0 m -54.88 -51.98 64.27 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.109 0.411 . . . . 10.0 112.109 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 4.2 m -60.74 -41.93 96.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.601 -178.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -70.89 -36.91 72.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.963 0.411 . . . . 10.0 110.49 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 492' ' ' ASN . . . . . 0.448 ' ND2' ' HG2' ' D' ' 497' ' ' ARG . 5.3 t30 -56.1 -41.96 76.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.659 -0.7 . . . . 10.0 109.463 178.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 75.1 mt -67.12 -40.71 85.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.723 -0.672 . . . . 10.0 110.03 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -37.36 85.11 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.97 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -71.75 -21.12 61.79 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.136 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 101.94 26.93 7.25 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.7 -0.762 . . . . 10.0 112.939 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 497' ' ' ARG . . . . . 0.448 ' HG2' ' ND2' ' D' ' 492' ' ' ASN . 17.1 tpp180 -72.69 -43.0 63.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.31 0.576 . . . . 10.0 109.891 179.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 2.6 mp -96.14 130.93 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-N 115.221 -0.9 . . . . 10.0 108.94 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 . . . . . 0 C--N 1.326 -0.453 0 CA-C-O 121.051 0.453 . . . . 10.0 111.329 -179.71 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 110.178 -0.304 . . . . 10.0 110.178 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -108.55 144.6 36.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.796 0.332 . . . . 10.0 111.322 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.4 pt -130.72 162.37 38.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.857 -0.611 . . . . 10.0 109.446 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -117.34 109.95 17.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.675 0.274 . . . . 10.0 110.723 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 49.4 t -98.14 116.67 41.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.002 0.429 . . . . 10.0 110.02 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -99.5 125.99 45.35 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.011 0.434 . . . . 10.0 111.222 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.5 p -93.08 149.12 21.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.253 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.6 mt -65.74 -13.65 59.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 10.0 111.055 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.63 -24.89 58.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.751 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.7 44.28 1.15 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.75 -0.738 . . . . 10.0 112.789 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -142.47 138.13 30.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.778 0.323 . . . . 10.0 111.074 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.9 123.91 45.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.106 -0.497 . . . . 10.0 109.968 178.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.4 mt -105.8 134.98 45.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.993 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.28 128.61 45.42 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.625 178.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.6 mt -131.85 134.7 46.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.015 0.435 . . . . 10.0 111.719 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.3 102.29 14.96 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.461 -0.94 . . . . 10.0 108.461 178.105 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.9 m -127.32 -179.31 2.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.151 -0.477 . . . . 10.0 111.023 -178.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.473 ' O ' HD11 ' A' ' 56' ' ' LEU . 8.3 mm-40 -143.23 161.03 49.91 Favored Pre-proline 0 C--N 1.321 -0.657 0 N-CA-C 108.996 -0.742 . . . . 10.0 108.996 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -56.04 -26.18 58.04 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.342 2.028 . . . . 10.0 112.927 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -88.8 8.04 31.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.758 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -85.53 140.49 30.6 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.962 -0.384 . . . . 10.0 109.962 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.477 ' O ' HG22 ' A' ' 26' ' ' VAL . 2.8 p -94.11 152.05 19.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.653 -179.403 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.6 mm -58.51 -35.6 55.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.002 0.43 . . . . 10.0 110.026 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -41.84 98.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.19 178.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -69.65 -37.81 76.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.433 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 22' ' ' THR . 95.5 t -63.23 -39.34 84.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.889 178.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -60.25 -41.96 94.3 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.763 179.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.62 -34.34 76.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.394 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -68.38 -36.24 78.88 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.329 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 68.1 mt -70.04 -35.48 64.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.43 -0.582 . . . . 10.0 109.43 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.504 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 22.0 tt0 -69.32 -26.4 64.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.592 -0.731 . . . . 10.0 109.845 179.003 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -77.17 -38.99 50.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.567 -0.742 . . . . 10.0 111.167 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -87.02 -57.79 2.83 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.751 0.648 . . . . 10.0 112.751 -178.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -86.55 -23.36 25.86 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.274 0.472 . . . . 10.0 112.274 -177.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.504 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 82.12 15.05 75.62 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.355 -0.926 . . . . 10.0 113.1 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.0 mt -85.54 123.15 73.11 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 110.304 -0.258 . . . . 10.0 110.304 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -55.73 131.43 46.05 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.683 2.255 . . . . 10.0 112.239 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.74 -26.31 55.86 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 123.09 2.527 . . . . 10.0 112.489 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -69.04 -18.89 64.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.563 -0.744 . . . . 10.0 111.333 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -109.21 5.35 23.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.546 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -93.84 126.64 39.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.884 -179.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.5 mtt180 -127.41 102.0 6.7 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.957 -0.757 . . . . 10.0 108.957 177.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.0 mt -90.15 124.2 34.63 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.603 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mp -116.77 128.84 74.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.67 -0.695 . . . . 10.0 109.644 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -124.19 116.45 22.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.173 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.7 18.09 9.3 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.754 -0.657 . . . . 10.0 112.072 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.26 -11.02 51.3 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.813 -0.708 . . . . 10.0 112.89 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -102.07 136.98 40.95 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.079 -0.341 . . . . 10.0 110.079 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -80.94 131.98 35.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.032 0.444 . . . . 10.0 110.582 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.9 mt -86.26 125.48 33.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.737 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.496 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 41.8 mt-10 -83.52 150.69 25.82 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.887 -0.412 . . . . 10.0 109.887 179.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.53 -41.91 91.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.432 -0.349 . . . . 10.0 111.606 -179.228 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.8 45.12 3.46 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.929 -0.653 . . . . 10.0 113.124 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.496 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 21.8 mmt180 -133.3 159.21 40.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.719 0.295 . . . . 10.0 110.257 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -104.55 157.9 16.85 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.906 179.247 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.473 HD11 ' O ' ' A' ' 18' ' ' GLU . 61.7 mt -62.52 -33.82 75.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.025 0.441 . . . . 10.0 111.079 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.73 -24.55 62.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.099 -0.501 . . . . 10.0 111.064 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 55' ' ' THR . 31.2 m-20 -62.69 -31.73 72.68 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.19 -179.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -104.33 10.33 35.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.618 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 59.18 41.44 20.29 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.793 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 77.3 mt -85.18 112.93 22.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.118 -0.492 . . . . 10.0 109.803 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -100.65 -166.98 1.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.243 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -76.92 151.12 35.87 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.837 0.351 . . . . 10.0 110.982 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 68.76 19.8 8.32 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.589 -0.732 . . . . 10.0 111.692 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.9 m -86.75 147.93 25.64 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.981 -0.378 . . . . 10.0 109.981 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.9 m -101.95 131.1 48.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.026 0.441 . . . . 10.0 111.511 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -115.79 139.28 50.32 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.934 -0.765 . . . . 10.0 108.934 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -99.98 126.71 46.19 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.765 0.316 . . . . 10.0 110.478 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.5 tp -105.83 110.41 22.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.326 0.584 . . . . 10.0 110.607 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.4 t -100.53 132.96 45.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.428 -0.806 . . . . 10.0 110.019 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 78.0 mt . . . . . 0 C--N 1.328 -0.334 0 N-CA-C 109.856 -0.424 . . . . 10.0 109.856 179.642 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.432 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 26.1 ptt? . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 110.091 -0.337 . . . . 10.0 110.091 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -102.81 139.02 38.94 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.38 -0.373 . . . . 10.0 111.437 -178.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 23.4 pt -124.94 164.17 24.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.403 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.459 ' O ' ' HA ' ' B' ' 66' ' ' THR . 64.2 m-85 -118.95 110.51 17.22 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.972 0.415 . . . . 10.0 110.866 -179.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 43.2 t -98.16 121.37 48.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 109.812 -0.44 . . . . 10.0 109.812 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -104.16 135.25 46.0 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.011 0.434 . . . . 10.0 111.097 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.5 p -99.77 169.15 9.45 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.915 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 56.1 mt -76.4 -1.29 26.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.153 0.501 . . . . 10.0 110.349 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.61 -27.93 16.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.482 179.095 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.75 3.12 23.75 Favored Glycine 0 C--N 1.333 0.374 0 C-N-CA 121.043 -0.598 . . . . 10.0 112.189 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 41.7 tttt -86.2 133.45 33.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.618 0.247 . . . . 10.0 110.766 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.2 m -102.27 115.41 30.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.27 -0.423 . . . . 10.0 109.905 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 15.9 mt -99.65 121.23 50.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.264 -0.426 . . . . 10.0 111.366 -179.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.39 131.35 36.93 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 178.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 56.1 mt -138.45 146.93 42.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.049 0.452 . . . . 10.0 112.032 -178.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -98.18 116.27 30.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.187 -0.915 . . . . 10.0 109.287 178.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.432 ' O ' ' HG2' ' B' ' 1' ' ' MET . 4.6 m -141.06 154.67 21.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.374 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -106.81 151.64 40.61 Favored Pre-proline 0 C--N 1.319 -0.734 0 N-CA-C 109.395 -0.594 . . . . 10.0 109.395 178.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.67 -25.32 41.35 Favored 'Trans proline' 0 CA--C 1.533 0.435 0 C-N-CA 122.809 2.34 . . . . 10.0 113.172 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.81 4.71 48.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.409 -0.36 . . . . 10.0 111.932 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -78.75 151.73 31.9 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.72 0.295 . . . . 10.0 110.388 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.9 m -95.04 143.8 26.22 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.559 -178.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.422 HG12 ' O ' ' B' ' 54' ' ' ARG . 46.8 mm -53.21 -40.74 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 C-N-CA 122.474 0.31 . . . . 10.0 111.347 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -58.8 -35.6 73.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.906 0.384 . . . . 10.0 110.778 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.447 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 65.8 t30 -75.01 -35.29 61.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.049 0.452 . . . . 10.0 110.265 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 58.8 t -62.3 -48.22 89.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.326 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -69.5 -24.83 63.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.543 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.43 -32.14 70.92 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 178.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 95.9 mttt -71.27 -34.4 70.65 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.132 -0.692 . . . . 10.0 109.132 178.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 39.8 mt -70.36 -28.31 34.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 178.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -65.75 -23.45 66.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.491 -0.777 . . . . 10.0 109.949 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -92.51 -44.48 8.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.284 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 38.8 tttt -66.69 -43.12 85.25 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.714 -0.676 . . . . 10.0 111.663 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -101.31 -48.09 4.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.706 0.289 . . . . 10.0 111.184 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.62 -12.99 22.96 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.616 -0.802 . . . . 10.0 111.892 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 33.1 mt -68.26 125.79 91.96 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.565 -0.318 . . . . 10.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.87 146.99 64.68 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 122.967 2.445 . . . . 10.0 112.413 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -60.99 -24.77 80.31 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.765 2.31 . . . . 10.0 113.023 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.22 -23.72 63.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.0 0.429 . . . . 10.0 111.117 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -101.95 6.62 41.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.167 -0.47 . . . . 10.0 111.047 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -103.86 104.63 14.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.615 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -103.9 106.53 17.07 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.647 -0.871 . . . . 10.0 108.647 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 65.5 mt -95.21 127.4 41.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.166 0.508 . . . . 10.0 111.775 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.6 mp -126.35 140.31 49.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.463 -0.79 . . . . 10.0 110.124 179.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.42 ' HB3' HD21 ' B' ' 50' ' ' LEU . 78.4 t80 -132.81 118.7 19.32 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.526 -0.546 . . . . 10.0 109.526 179.106 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.69 32.82 22.58 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.242 0.544 . . . . 10.0 111.186 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.08 -11.38 62.9 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.921 -0.657 . . . . 10.0 112.662 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -92.86 129.22 38.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.698 0.249 . . . . 10.0 110.502 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -75.52 132.56 40.82 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.501 HD23 ' CD2' ' B' ' 59' ' ' TYR . 22.3 mt -89.44 122.75 32.94 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.564 0.221 . . . . 10.0 111.509 -178.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.466 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 16.7 mt-10 -74.12 142.71 45.54 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.607 -0.516 . . . . 10.0 109.607 178.431 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.61 -37.12 72.74 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.363 0.505 . . . . 10.0 112.363 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.71 32.64 5.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 10.0 114.616 -177.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.466 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 19.6 mmt180 -123.53 168.04 13.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.837 0.819 . . . . 10.0 109.996 178.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 23.0 p -105.83 174.11 6.02 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.748 0.309 . . . . 10.0 110.454 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 89.9 mt -68.25 -47.72 66.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.973 0.416 . . . . 10.0 111.135 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -61.03 -26.59 67.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.107 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -62.86 -27.44 69.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.521 -0.763 . . . . 10.0 111.386 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.501 ' CD2' HD23 ' B' ' 50' ' ' LEU . 50.0 m-85 -109.65 13.81 23.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.184 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 68.64 21.99 7.72 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 123.757 0.66 . . . . 10.0 111.501 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 59.2 mt -78.09 117.05 22.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.426 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -107.94 -168.04 1.32 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.057 -0.52 . . . . 10.0 109.969 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 56.8 pttt -74.02 153.06 39.85 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.88 -0.328 . . . . 10.0 110.558 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 66.89 14.02 9.66 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.75 0.656 . . . . 10.0 112.404 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 16.1 m -81.97 144.59 30.8 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.989 -0.284 . . . . 10.0 110.276 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 46.6 m -96.03 131.57 42.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.961 0.41 . . . . 10.0 110.927 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 mp -113.2 134.9 54.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.106 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -87.89 122.39 31.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.1 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 38.5 tp -106.64 108.09 19.42 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.022 0.439 . . . . 10.0 110.695 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 78.3 t -98.75 121.75 49.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.712 -0.677 . . . . 10.0 110.162 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 55.9 mt -89.61 122.07 32.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.019 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.656 0 CA-C-O 120.985 0.421 . . . . 10.0 111.111 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 121.048 0.452 . . . . 10.0 110.239 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 47.2 mm-40 -67.69 -33.13 74.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.412 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 86.4 mt -66.8 -39.19 87.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.194 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -66.56 -42.4 87.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.935 0.397 . . . . 10.0 109.948 179.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -60.74 -41.23 94.95 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.888 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 43.6 mtm -70.68 -41.21 72.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.775 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.42 -42.87 95.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.733 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -61.49 -30.76 70.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.601 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -63.58 -40.85 98.0 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.724 -0.473 . . . . 10.0 109.724 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 52.8 mt -73.83 -40.02 52.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.078 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -60.53 -25.44 66.13 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.796 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -75.84 -33.3 60.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.661 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 35.0 mmm -81.16 -45.05 16.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.687 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 468' ' ' PHE . . . . . 0.466 ' O ' HG13 ' D' ' 471' ' ' VAL . 61.7 m-85 -126.12 99.63 31.13 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.242 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -87.1 -1.21 7.9 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.823 2.349 . . . . 10.0 113.187 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 16.6 pm0 -88.84 1.82 54.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.762 0.315 . . . . 10.0 111.459 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 471' ' ' VAL . . . . . 0.466 HG13 ' O ' ' D' ' 468' ' ' PHE . 13.8 p -103.28 134.7 19.62 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.591 -0.277 . . . . 10.0 110.432 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 472' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' D' ' 471' ' ' VAL . 31.3 Cg_exo -60.92 121.3 9.48 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.364 2.043 . . . . 10.0 111.476 178.504 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -52.98 -38.93 62.62 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.679 -0.691 . . . . 10.0 112.564 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -65.68 -29.78 70.38 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.081 -0.248 . . . . 10.0 111.41 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 35.0 mt -78.19 -27.46 47.94 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.919 -0.4 . . . . 10.0 109.919 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 43.3 t -69.76 -41.79 80.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.032 -0.729 . . . . 10.0 109.032 178.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 80.1 mt -63.91 -30.16 71.27 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.431 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -59.47 -56.47 21.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.944 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -66.49 -30.56 70.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.038 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.5 -31.82 71.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.787 0.327 . . . . 10.0 110.414 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -92.77 5.39 51.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.418 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -113.3 -47.03 3.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.333 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 72.1 p -102.87 -35.95 8.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.644 0.259 . . . . 10.0 111.569 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? 64.96 33.16 10.05 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.151 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 10.3 t -142.88 118.05 10.13 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.876 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -57.44 -34.97 47.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.979 0.419 . . . . 10.0 110.364 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -62.15 -54.74 36.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.417 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 66.0 mt -63.91 -45.65 96.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.409 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 489' ' ' THR . . . . . 0.402 ' O ' HG13 ' D' ' 493' ' ' ILE . 93.1 m -56.56 -50.65 71.26 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.095 0.406 . . . . 10.0 112.095 -179.373 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 10.5 m -61.16 -43.22 99.23 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.461 0.172 . . . . 10.0 111.406 -179.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -67.67 -42.37 82.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.112 0.482 . . . . 10.0 109.879 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -53.87 -42.5 68.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.385 -0.825 . . . . 10.0 110.854 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 493' ' ' ILE . . . . . 0.402 HG13 ' O ' ' D' ' 489' ' ' THR . 85.5 mt -64.5 -46.07 93.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.626 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -22.2 65.25 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.997 0.427 . . . . 10.0 110.753 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -80.22 -40.13 27.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.097 0.475 . . . . 10.0 110.439 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 130.03 10.91 2.68 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.255 -0.974 . . . . 10.0 113.262 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 -64.36 -40.5 95.97 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.731 0.777 . . . . 10.0 109.042 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 1.7 mp -100.0 125.82 53.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 114.904 -1.044 . . . . 10.0 108.264 178.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 . . . . . 0 C--N 1.324 -0.511 0 CA-C-O 120.885 0.374 . . . . 10.0 110.574 -179.304 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.434 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 21.6 ptt? . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 109.984 -0.376 . . . . 10.0 109.984 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -98.48 134.77 40.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.51 -0.314 . . . . 10.0 110.827 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.8 pt -123.1 160.06 26.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.13 -0.487 . . . . 10.0 109.889 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -115.44 115.51 26.66 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.85 0.357 . . . . 10.0 111.094 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.3 t -107.42 122.42 61.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.513 -0.551 . . . . 10.0 109.513 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -105.6 139.62 39.93 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.207 0.527 . . . . 10.0 111.345 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.53 -178.25 3.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.551 -0.749 . . . . 10.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 35.0 mt -65.11 -29.0 69.82 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.255 -0.43 . . . . 10.0 111.115 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.19 1.21 25.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.267 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.18 9.49 86.99 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.897 -0.668 . . . . 10.0 111.91 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -77.45 123.38 26.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.693 0.282 . . . . 10.0 110.322 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -95.99 115.88 28.1 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.3 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.5 mp -105.94 123.23 60.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.546 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 m -90.01 130.97 36.13 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.1 mt -129.85 150.69 51.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.808 0.337 . . . . 10.0 110.993 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -101.58 113.08 25.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.681 -0.69 . . . . 10.0 109.724 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.434 ' O ' ' HG2' ' A' ' 1' ' ' MET . 3.2 m -142.02 153.49 18.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.812 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.541 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 65.0 mm-40 -107.88 160.8 25.51 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 108.91 -0.774 . . . . 10.0 108.91 178.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.34 -24.55 43.25 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.34 2.027 . . . . 10.0 113.041 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.9 -3.02 59.03 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.788 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.541 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.3 OUTLIER -69.16 130.01 41.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.803 0.335 . . . . 10.0 110.729 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.503 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -79.48 144.64 33.82 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.503 -0.555 . . . . 10.0 109.503 178.906 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.9 mm -54.68 -42.18 59.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.731 0.3 . . . . 10.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -59.15 -40.9 86.99 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.118 0.485 . . . . 10.0 110.207 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -65.72 -38.52 89.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.853 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 22' ' ' THR . 44.3 t -65.09 -42.91 95.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.014 179.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -62.9 -35.06 78.82 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.537 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.05 -36.7 84.88 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.985 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -66.25 -34.42 77.96 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.935 179.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 55.1 mt -70.49 -34.82 59.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.25 0.547 . . . . 10.0 109.563 178.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -70.44 -35.53 73.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.095 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -72.65 -33.55 66.66 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.764 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -86.25 -61.62 1.7 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.853 -0.612 . . . . 10.0 112.174 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -81.9 -46.12 14.52 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.784 0.291 . . . . 10.0 111.784 -178.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.99 -13.31 17.03 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.443 -0.884 . . . . 10.0 112.548 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 29.1 mt -64.03 123.25 81.44 Favored Pre-proline 0 C--N 1.325 -0.478 0 C-N-CA 121.968 0.107 . . . . 10.0 110.918 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.51 133.1 49.75 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.683 2.255 . . . . 10.0 111.768 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.31 -21.44 52.73 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 123.227 2.618 . . . . 10.0 112.866 -179.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.99 -32.61 73.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.136 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -100.74 3.72 42.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.535 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -86.26 126.57 34.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.927 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -123.62 95.59 4.64 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 178.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 39.8 mt -83.84 123.78 30.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.937 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 81.6 mt -120.19 129.19 75.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.648 -0.706 . . . . 10.0 110.262 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -119.8 111.2 17.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.131 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.58 22.36 12.14 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.684 -0.689 . . . . 10.0 111.742 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.18 -13.14 55.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.873 -0.679 . . . . 10.0 112.521 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -93.29 131.59 38.27 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.547 0.213 . . . . 10.0 110.623 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -82.23 127.86 33.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.429 -0.351 . . . . 10.0 110.206 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.0 mt -83.35 129.16 34.98 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.812 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.464 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 39.8 mt-10 -84.27 164.32 19.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.193 179.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -62.27 -57.55 10.98 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.277 -0.419 . . . . 10.0 112.012 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.32 60.85 4.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.848 -0.691 . . . . 10.0 113.844 -178.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.464 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 24.4 mmt180 -138.33 158.33 44.49 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 178.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.543 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 33.2 p -107.17 172.87 6.58 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.697 -0.482 . . . . 10.0 109.697 178.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.4 mt -66.93 -33.56 75.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.076 0.465 . . . . 10.0 110.448 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.3 m -70.14 -16.27 63.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.888 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.543 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.8 OUTLIER -67.87 -21.7 65.15 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.014 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -122.35 13.56 10.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.986 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.8 t30 59.28 37.02 23.76 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.595 0.712 . . . . 10.0 110.897 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.2 mt -76.82 120.94 28.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.136 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -110.37 -161.2 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.452 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -79.74 151.56 30.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.579 -0.282 . . . . 10.0 110.3 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 66.48 22.2 10.7 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.305 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.1 m -77.53 146.8 36.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.856 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 m -109.16 123.21 48.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.026 -0.533 . . . . 10.0 110.642 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mp -114.99 141.99 47.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.308 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -101.6 123.96 46.48 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.172 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.6 tp -103.63 102.42 12.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.072 0.463 . . . . 10.0 110.494 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.7 t -94.12 133.01 36.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.888 -0.597 . . . . 10.0 109.742 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.7 mt . . . . . 0 C--N 1.321 -0.647 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.267 -179.777 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.513 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 22.9 ptt? . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 110.223 -0.288 . . . . 10.0 110.223 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -110.67 140.84 44.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.567 0.222 . . . . 10.0 110.775 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 28.8 pt -134.31 157.88 41.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.433 -0.58 . . . . 10.0 109.433 178.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -114.49 115.55 27.42 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.259 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 52.1 t -99.64 123.86 52.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.618 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 19.5 tttp -102.9 141.85 35.0 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.162 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.6 p -113.48 170.28 8.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.71 0.29 . . . . 10.0 111.225 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 52.0 mt -72.0 -17.56 62.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.293 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.34 -11.49 51.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.038 0.447 . . . . 10.0 110.583 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.65 9.57 59.88 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.903 -0.665 . . . . 10.0 112.6 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.429 ' HZ3' ' CD ' ' B' ' 34' ' ' GLU . 82.8 tttt -84.91 127.08 34.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.805 0.336 . . . . 10.0 110.719 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -91.11 109.5 20.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.311 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.1 mt -100.38 123.34 53.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.295 -0.412 . . . . 10.0 111.105 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.4 132.91 38.54 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.539 -0.541 . . . . 10.0 109.539 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 27.3 mt -136.54 141.33 43.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.139 0.495 . . . . 10.0 111.748 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -99.21 114.78 27.75 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.299 -0.864 . . . . 10.0 108.821 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.513 ' O ' ' HG2' ' B' ' 1' ' ' MET . 3.9 m -142.5 163.82 17.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.509 -179.029 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.41 ' O ' HD12 ' B' ' 56' ' ' LEU . 65.1 mm-40 -113.21 156.46 42.98 Favored Pre-proline 0 C--N 1.315 -0.914 0 N-CA-C 109.057 -0.72 . . . . 10.0 109.057 178.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.41 -38.32 73.58 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.153 1.902 . . . . 10.0 112.521 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.5 m -84.56 6.96 21.67 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.474 0.546 . . . . 10.0 112.474 -178.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -76.54 131.45 38.97 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 179.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.84 143.93 47.65 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.507 -0.315 . . . . 10.0 111.104 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 48.8 mm -57.92 -34.87 49.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.592 -0.521 . . . . 10.0 109.592 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -57.86 -37.64 74.28 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.277 -0.874 . . . . 10.0 110.691 178.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -73.48 -33.08 64.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.717 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 42.7 t -64.23 -39.92 87.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.515 178.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -59.87 -39.41 85.15 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.394 0.616 . . . . 10.0 109.88 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.93 -35.33 78.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.367 -0.833 . . . . 10.0 110.712 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -66.62 -38.09 86.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.154 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 66.5 mt -71.41 -34.4 53.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.952 -0.758 . . . . 10.0 108.952 178.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -66.88 -32.58 73.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.035 -0.984 . . . . 10.0 110.281 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -78.67 -35.75 44.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.159 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -81.68 -67.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.314 0.487 . . . . 10.0 112.314 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.429 ' CD ' ' HZ3' ' B' ' 11' ' ' LYS . 25.4 mm-40 -75.31 -33.88 61.22 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.38 0.511 . . . . 10.0 112.38 -177.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.22 37.66 8.18 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.315 -0.945 . . . . 10.0 112.283 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.9 mt -111.69 125.37 30.48 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 109.846 -0.427 . . . . 10.0 109.846 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.94 136.28 60.05 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.754 2.303 . . . . 10.0 112.458 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -56.36 -25.41 56.92 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 123.052 2.501 . . . . 10.0 112.579 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -67.09 -17.67 64.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.391 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -112.0 12.12 20.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.779 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -106.3 125.67 51.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.401 -0.363 . . . . 10.0 111.447 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -129.48 102.22 6.3 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 178.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 28.6 mt -85.61 126.88 34.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.81 -178.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -124.39 134.82 65.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.576 -0.738 . . . . 10.0 110.07 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -116.88 99.44 7.09 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.863 -0.421 . . . . 10.0 109.863 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.82 34.97 24.05 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.789 -0.641 . . . . 10.0 111.537 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.51 -11.75 63.15 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.707 -0.759 . . . . 10.0 113.205 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -96.02 120.72 36.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.868 0.334 . . . . 10.0 110.433 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.41 129.97 38.77 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.784 -0.45 . . . . 10.0 109.784 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 11.1 mt -93.35 134.09 35.93 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.535 -179.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.485 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 30.3 mt-10 -88.76 143.66 26.77 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.647 -0.501 . . . . 10.0 109.647 178.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.83 -38.33 75.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.707 -179.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.55 34.55 2.91 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.054 -0.593 . . . . 10.0 113.694 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.485 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 19.5 mmt180 -135.86 164.91 26.85 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 179.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.46 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 64.3 p -105.76 169.54 8.42 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.881 -0.415 . . . . 10.0 109.881 179.032 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.41 HD12 ' O ' ' B' ' 18' ' ' GLU . 71.9 mt -66.35 -36.25 82.4 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.919 0.39 . . . . 10.0 110.711 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.12 -8.7 56.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.709 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.46 ' HB2' ' O ' ' B' ' 55' ' ' THR . 3.3 m-20 -75.74 -25.74 56.82 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.146 0.498 . . . . 10.0 110.401 179.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -107.91 20.31 18.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.877 -0.601 . . . . 10.0 112.216 -178.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.6 t30 66.16 26.94 10.51 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.693 0.62 . . . . 10.0 111.67 178.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.3 mt -82.73 137.54 20.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.253 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -122.24 -164.07 1.13 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.203 -0.453 . . . . 10.0 109.97 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 31.2 pttt -80.6 154.84 27.19 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.715 -0.394 . . . . 10.0 110.641 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 64.07 18.89 11.5 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.667 -0.697 . . . . 10.0 112.207 178.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 32.5 m -86.3 145.35 26.96 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.97 0.414 . . . . 10.0 110.793 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 15.7 m -94.78 133.4 38.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.851 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 mp -118.05 153.45 33.69 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.306 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -108.92 126.52 53.16 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.521 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.7 tp -104.5 106.64 17.21 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.084 0.468 . . . . 10.0 110.608 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 79.1 t -87.98 114.62 26.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.439 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 98.1 mt -84.85 119.78 25.71 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.602 -0.518 . . . . 10.0 109.602 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.457 ' HG3' ' OD1' ' D' ' 491' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--N 1.322 -0.605 0 CA-C-O 120.934 0.397 . . . . 10.0 111.233 -178.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.455 -0.208 0 CA-C-O 121.009 0.433 . . . . 10.0 110.397 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -62.38 -45.12 94.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.648 -0.705 . . . . 10.0 110.219 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 80.4 mt -67.07 -40.0 86.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.374 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -64.51 -40.64 96.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.548 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -66.56 -37.24 84.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.955 0.407 . . . . 10.0 110.337 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 62.9 mtt -68.68 -44.2 74.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.048 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.64 -36.51 83.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.591 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -58.74 -41.98 87.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.418 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -62.24 -41.24 98.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.599 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 72.1 mt -67.94 -41.77 85.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.339 -0.392 . . . . 10.0 110.503 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -64.05 -16.41 61.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.444 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -83.02 -19.36 37.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.012 0.434 . . . . 10.0 110.185 179.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -102.75 -39.22 7.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.756 179.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 468' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -118.36 91.22 40.55 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.879 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -87.86 6.42 5.02 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.616 2.211 . . . . 10.0 113.267 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 12.6 pm0 -107.31 1.61 23.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.594 0.235 . . . . 10.0 111.336 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 471' ' ' VAL . . . . . . . . . . . . . 13.4 p -100.85 131.03 24.01 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.655 -0.248 . . . . 10.0 110.686 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 472' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -57.71 124.92 17.17 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.752 2.302 . . . . 10.0 112.558 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -55.68 -39.26 70.73 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.56 -0.745 . . . . 10.0 112.345 -178.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 51.9 p-80 -63.88 -29.68 70.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.646 0.26 . . . . 10.0 111.069 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 46.0 mt -77.86 -35.54 50.88 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.876 -0.416 . . . . 10.0 109.876 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 26.5 t -63.78 -47.59 90.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.999 -0.546 . . . . 10.0 109.662 178.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 63.3 mt -64.21 -30.7 71.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.796 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -67.74 -47.53 69.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.28 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -68.4 -38.19 81.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.762 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.7 -27.79 52.17 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.862 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -78.87 -27.3 44.03 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.702 0.287 . . . . 10.0 110.972 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -88.58 -48.28 7.69 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.531 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 31.6 p -85.66 -39.68 17.0 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.736 0.273 . . . . 10.0 111.736 -178.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 60.88 28.23 18.01 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.39 0.614 . . . . 10.0 110.436 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 9.6 t -152.41 117.28 5.12 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.56 -0.746 . . . . 10.0 109.908 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 17.6 m -57.78 -32.26 42.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.302 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -61.9 -44.4 96.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.529 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 17.0 mt -75.3 -38.09 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.719 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 37.7 m -59.09 -52.6 65.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.333 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 2.7 m -62.22 -37.58 85.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 10.0 110.726 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 491' ' ' ASP . . . . . 0.457 ' OD1' ' HG3' ' B' ' 72' ' ' ARG . 4.5 t70 -66.63 -43.98 83.22 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 178.559 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -55.52 -36.55 66.85 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.548 -0.751 . . . . 10.0 110.817 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 83.7 mt -66.73 -45.3 88.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.205 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -34.6 77.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.882 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -61.29 -42.99 99.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.18 0.514 . . . . 10.0 110.44 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 123.16 15.61 3.75 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.54 -0.838 . . . . 10.0 112.708 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -73.58 -37.96 65.31 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 3.6 mp -95.74 124.37 48.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.534 -0.757 . . . . 10.0 109.288 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 . . . . . 0 C--N 1.325 -0.495 0 CA-C-O 120.936 0.398 . . . . 10.0 111.256 -179.235 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 110.18 -0.304 . . . . 10.0 110.18 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 71.8 mm-40 -97.4 143.59 27.98 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.111 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.9 pt -132.64 162.82 39.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.967 -0.753 . . . . 10.0 108.967 178.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -122.69 113.78 19.68 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.873 0.368 . . . . 10.0 111.127 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.8 t -105.05 120.38 55.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.022 -0.536 . . . . 10.0 109.912 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -102.45 134.18 46.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.072 0.463 . . . . 10.0 111.247 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.28 170.45 9.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.708 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.9 mt -68.24 -12.84 61.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.751 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.92 -4.35 58.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.92 0.391 . . . . 10.0 111.347 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.06 34.77 16.99 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.69 -0.767 . . . . 10.0 111.949 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.422 ' HE2' HG12 ' A' ' 13' ' ' ILE . 74.4 tttt -116.02 124.75 51.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.809 0.338 . . . . 10.0 110.415 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.9 m -95.95 114.78 26.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.413 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.422 HG12 ' HE2' ' A' ' 11' ' ' LYS . 20.7 mt -101.98 127.21 55.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.099 -179.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.95 133.95 33.55 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.716 -0.475 . . . . 10.0 109.716 178.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.6 mt -133.66 140.35 47.02 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.91 0.386 . . . . 10.0 111.125 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -97.53 109.19 21.99 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.256 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 m -136.22 -177.34 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.319 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.58 ' O ' HD11 ' A' ' 56' ' ' LEU . 35.5 mm-40 -141.56 156.1 66.72 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 108.941 -0.762 . . . . 10.0 108.941 179.18 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.96 -28.41 68.53 Favored 'Trans proline' 0 CA--C 1.53 0.311 0 C-N-CA 122.42 2.08 . . . . 10.0 112.335 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.2 0.61 44.64 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.495 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -80.31 150.98 29.75 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 120.787 0.327 . . . . 10.0 110.29 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -94.83 144.78 25.37 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.239 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 51.7 mm -55.35 -40.68 58.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 120.976 0.417 . . . . 10.0 110.745 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -57.45 -40.9 79.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.8 -0.636 . . . . 10.0 110.832 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -68.0 -35.36 78.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.012 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.35 -41.43 92.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 178.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -61.2 -40.33 93.54 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.609 178.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.76 -37.05 86.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.556 -0.747 . . . . 10.0 110.495 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -67.04 -36.22 81.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.032 -0.531 . . . . 10.0 109.98 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 85.3 mt -68.11 -38.02 79.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 178.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -66.61 -31.77 72.67 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.761 -0.654 . . . . 10.0 109.714 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -69.09 -39.32 79.08 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 69.6 mttt -81.98 -59.4 2.59 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.496 0.554 . . . . 10.0 112.496 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -79.65 -46.91 16.29 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.263 0.468 . . . . 10.0 112.263 -178.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.32 9.78 26.85 Favored Glycine 0 N--CA 1.454 -0.162 0 C-N-CA 120.474 -0.869 . . . . 10.0 112.349 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.8 mt -88.33 123.6 68.04 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 110.463 -0.199 . . . . 10.0 110.463 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -55.55 142.37 81.47 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.757 2.305 . . . . 10.0 112.404 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -57.44 -27.14 74.78 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.923 2.415 . . . . 10.0 112.853 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -66.4 -25.89 66.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.009 0.433 . . . . 10.0 110.665 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -102.12 11.0 39.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.106 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -104.61 133.77 48.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.23 -0.441 . . . . 10.0 111.386 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.0 mtt180 -132.65 104.77 6.81 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.114 -0.493 . . . . 10.0 109.708 178.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.3 mt -92.92 126.11 37.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.968 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.6 mp -123.74 132.7 70.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.337 179.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.412 ' HB3' HD21 ' A' ' 50' ' ' LEU . 77.8 t80 -133.76 129.27 36.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.965 -0.562 . . . . 10.0 109.541 179.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.55 24.93 13.7 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.661 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.52 7.8 85.76 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.871 -0.68 . . . . 10.0 112.495 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -115.63 133.53 55.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.697 -0.296 . . . . 10.0 110.246 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -77.7 132.08 38.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.276 -0.42 . . . . 10.0 109.953 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.412 HD21 ' HB3' ' A' ' 45' ' ' PHE . 14.9 mt -87.2 142.34 27.98 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.4 -178.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.442 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 18.0 mt-10 -100.42 147.84 25.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.689 -0.687 . . . . 10.0 109.593 178.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -68.07 -20.26 64.94 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.623 0.601 . . . . 10.0 112.623 -178.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.76 4.2 85.84 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.466 -0.874 . . . . 10.0 113.042 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.442 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 22.9 mmt180 -109.63 167.0 10.47 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 122.533 -0.392 . . . . 10.0 110.795 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.5 p -109.93 169.87 8.44 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.542 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.58 HD11 ' O ' ' A' ' 18' ' ' GLU . 63.8 mt -62.91 -34.67 77.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.886 0.374 . . . . 10.0 110.567 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 51.0 m -68.35 -28.24 66.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.871 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -63.52 -26.25 68.62 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.814 0.34 . . . . 10.0 111.297 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -108.89 10.7 26.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.338 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.9 t30 56.99 36.04 27.24 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.461 -0.791 . . . . 10.0 111.22 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 83.7 mt -79.85 115.09 21.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.114 -0.494 . . . . 10.0 109.759 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -99.12 -163.0 1.0 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.655 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -78.26 153.6 31.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.462 -0.335 . . . . 10.0 110.834 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 60.3 24.73 14.18 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.682 -0.69 . . . . 10.0 112.023 178.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.6 m -82.24 145.83 29.82 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.2 m -100.01 122.53 43.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.43 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 mp -117.27 149.12 40.96 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.923 -0.58 . . . . 10.0 109.734 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -109.85 134.32 52.18 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.595 0.236 . . . . 10.0 110.386 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.4 tp -113.52 118.55 34.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.125 0.488 . . . . 10.0 111.472 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.6 t -102.71 139.9 22.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.291 178.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.5 mt . . . . . 0 C--N 1.326 -0.436 0 CA-C-O 120.804 0.335 . . . . 10.0 111.132 -179.357 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptt? . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.656 0.265 . . . . 10.0 110.614 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -122.6 144.51 49.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.856 0.36 . . . . 10.0 111.089 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.9 pt -128.13 165.83 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.173 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.422 ' O ' ' HA ' ' B' ' 66' ' ' THR . 89.7 m-85 -119.95 110.35 16.61 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.375 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 46.5 t -91.53 124.3 43.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.518 -0.31 . . . . 10.0 110.199 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -100.61 138.49 37.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.114 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 16.6 p -112.51 173.23 6.47 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.364 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 35.8 mt -76.67 -8.98 58.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.844 0.354 . . . . 10.0 110.814 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 3.9 p -96.48 -18.64 19.71 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.11 0.481 . . . . 10.0 110.861 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.62 -1.36 45.72 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.744 -0.741 . . . . 10.0 111.744 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 44.0 tttp -72.17 116.91 13.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.521 -0.339 . . . . 10.0 110.564 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.8 m -90.79 119.73 31.25 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.002 0.43 . . . . 10.0 110.467 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 84.0 mt -111.62 123.34 67.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.016 0.436 . . . . 10.0 111.478 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.16 136.33 33.52 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.184 -0.462 . . . . 10.0 109.779 178.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 18.9 mt -137.45 138.1 39.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.063 0.459 . . . . 10.0 111.475 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.48 111.24 19.8 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.611 -0.722 . . . . 10.0 109.149 179.03 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 15.8 m -130.16 165.99 28.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.499 -179.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.476 ' O ' HD12 ' B' ' 56' ' ' LEU . 24.9 mm-40 -122.47 158.85 55.04 Favored Pre-proline 0 C--N 1.319 -0.75 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.032 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.53 -26.92 80.55 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 121.91 1.74 . . . . 10.0 111.728 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -94.14 9.83 36.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.265 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -80.2 137.39 36.66 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.766 -0.457 . . . . 10.0 109.766 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.45 146.22 27.06 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.668 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 50.0 mm -56.82 -40.78 73.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.896 0.379 . . . . 10.0 110.552 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -61.07 -35.54 77.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.629 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -69.14 -37.79 78.46 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.29 -39.16 84.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.534 178.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -59.66 -41.31 90.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.191 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.33 -31.15 71.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.657 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -70.29 -38.26 74.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.23 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 63.1 mt -70.05 -37.03 71.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 121.171 0.51 . . . . 10.0 109.788 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.419 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 43.4 tt0 -66.19 -34.75 78.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.042 179.238 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -70.36 -23.64 62.84 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.695 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -89.65 -70.19 0.68 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.123 -0.49 . . . . 10.0 112.112 -179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -83.58 -26.11 30.32 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.496 0.554 . . . . 10.0 112.496 -177.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 94.39 -3.13 68.68 Favored Glycine 0 C--N 1.32 -0.348 0 C-N-CA 120.486 -0.864 . . . . 10.0 112.331 -179.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 75.1 mt -61.99 122.02 69.39 Favored Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 110.57 -0.159 . . . . 10.0 110.57 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -55.75 137.27 77.93 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.84 2.36 . . . . 10.0 112.214 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.71 -20.54 43.23 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.667 2.245 . . . . 10.0 112.484 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -68.25 -35.24 77.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.163 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -90.56 -11.67 39.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.887 -179.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -78.33 95.57 5.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.117 -0.492 . . . . 10.0 112.129 -178.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.477 ' CZ ' HD21 ' D' ' 494' ' ' LEU . 36.0 ttt180 -101.29 100.67 11.21 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.688 -0.856 . . . . 10.0 108.688 177.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 64.9 mt -86.78 130.85 34.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 10.0 111.801 -178.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.4 mp -128.36 141.45 46.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.524 -0.762 . . . . 10.0 110.235 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -136.46 124.65 23.1 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.856 -0.424 . . . . 10.0 109.856 178.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.78 26.41 15.55 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 123.589 0.555 . . . . 10.0 111.744 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.23 1.7 78.43 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.801 -0.714 . . . . 10.0 113.102 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -117.59 136.29 53.38 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.249 -0.278 . . . . 10.0 110.249 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.8 143.3 46.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.594 0.235 . . . . 10.0 110.461 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 47.3 mt -94.66 143.02 26.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.059 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -92.34 139.59 30.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 10.0 109.771 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -64.96 -27.37 68.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.512 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.65 22.77 12.11 Favored Glycine 0 C--O 1.228 -0.231 0 C-N-CA 120.943 -0.646 . . . . 10.0 112.882 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 8.2 mmt-85 -127.61 166.35 18.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.815 0.34 . . . . 10.0 110.491 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 49.0 p -109.21 175.33 5.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.26 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.476 HD12 ' O ' ' B' ' 18' ' ' GLU . 96.5 mt -67.26 -35.29 79.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.893 0.377 . . . . 10.0 110.993 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 49.1 m -70.98 -19.21 62.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.528 -0.305 . . . . 10.0 111.576 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -66.19 -31.21 71.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.848 0.356 . . . . 10.0 110.763 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -107.27 13.79 26.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.05 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 61.41 35.49 17.75 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.333 0.587 . . . . 10.0 110.919 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 66.8 mt -82.63 122.31 37.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.033 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -109.9 -164.42 0.93 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.244 -179.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.35 156.86 32.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.685 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 67.34 13.52 9.39 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.858 0.724 . . . . 10.0 111.836 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 20.2 m -81.68 139.78 34.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.613 0.244 . . . . 10.0 110.368 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 2.0 m -91.98 129.74 37.87 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.378 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mp -109.61 131.91 54.63 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.167 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.568 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 35.9 m80 -88.33 116.9 26.88 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.881 -179.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.4 tp -104.74 98.42 8.17 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.819 -0.438 . . . . 10.0 109.819 178.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 99.1 t -97.94 127.18 50.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.912 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 49.9 mt -86.04 106.56 17.28 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.838 -0.801 . . . . 10.0 108.838 178.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.688 0 CA-C-O 120.928 0.394 . . . . 10.0 111.579 -178.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.88 0.371 . . . . 10.0 111.762 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -61.11 -41.35 96.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.122 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 65.1 mt -64.61 -39.28 93.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.748 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -65.01 -42.44 94.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.46 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -58.81 -42.93 90.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.867 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 54.1 mtm -70.6 -39.89 73.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.545 -0.752 . . . . 10.0 110.593 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.6 95.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.762 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -58.18 -41.37 83.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.834 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -64.67 -41.04 96.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.513 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 82.0 mt -65.68 -34.34 69.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.233 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 -63.31 -25.35 68.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.958 0.409 . . . . 10.0 110.819 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -77.28 -26.44 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.18 -0.463 . . . . 10.0 110.079 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 467' ' ' MET . . . . . 0.568 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 62.8 mmm -88.53 -37.29 15.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.47 -0.786 . . . . 10.0 110.184 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 468' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.17 88.99 19.08 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.715 -0.675 . . . . 10.0 109.848 179.151 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -79.98 23.38 0.68 Allowed 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.706 2.271 . . . . 10.0 113.307 -178.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -150.36 52.58 0.89 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.105 0.479 . . . . 10.0 110.553 -179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 471' ' ' VAL . . . . . . . . . . . . . 12.1 p -146.56 134.54 10.6 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.551 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 472' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.77 122.26 11.16 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.316 2.011 . . . . 10.0 112.02 178.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -54.46 -44.01 72.17 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.47 -0.786 . . . . 10.0 112.641 -178.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 49.9 p-80 -64.3 -28.21 69.56 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.718 0.266 . . . . 10.0 111.718 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 23.7 mt -78.04 -30.94 50.12 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.183 -0.303 . . . . 10.0 110.183 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 60.5 t -65.07 -40.81 90.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 109.158 -0.682 . . . . 10.0 109.158 178.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 71.5 mt -63.52 -29.38 70.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.45 -0.796 . . . . 10.0 110.561 178.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -66.12 -49.0 69.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.744 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -66.53 -35.55 80.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.089 0.471 . . . . 10.0 110.092 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.31 -30.75 68.57 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.518 -0.765 . . . . 10.0 111.092 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -87.27 -3.55 59.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.817 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -106.27 -64.57 1.15 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.902 0.382 . . . . 10.0 111.204 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 48.8 p -78.53 -39.0 39.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.868 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 52.1 mtt85 64.15 39.72 7.42 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.711 -0.677 . . . . 10.0 111.342 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 3.1 t -154.99 116.36 4.04 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.494 -0.558 . . . . 10.0 109.494 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 10.7 m -55.93 -33.94 36.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 120.721 0.295 . . . . 10.0 111.535 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -64.94 -54.64 27.44 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.382 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 60.5 mt -66.03 -39.21 83.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.175 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 66.2 m -58.99 -55.04 40.31 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.784 0.29 . . . . 10.0 111.784 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 2.4 m -60.9 -37.37 82.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.738 0.304 . . . . 10.0 111.142 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -68.67 -41.03 79.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.398 0.618 . . . . 10.0 109.979 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -60.77 -43.84 97.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.038 -0.983 . . . . 10.0 110.181 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 77.1 mt -68.31 -36.25 74.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.609 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 494' ' ' LEU . . . . . 0.477 HD21 ' CZ ' ' B' ' 42' ' ' ARG . 0.1 OUTLIER -63.02 -22.63 66.99 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.005 0.431 . . . . 10.0 110.983 179.881 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -91.42 -4.07 56.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.853 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 81.71 29.01 40.53 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.955 -0.64 . . . . 10.0 113.401 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -69.96 -41.69 74.15 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.213 -0.662 . . . . 10.0 109.213 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -92.56 145.95 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 N-CA-C 108.673 -0.862 . . . . 10.0 108.673 178.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 . . . . . 0 C--N 1.327 -0.372 0 CA-C-O 121.168 0.508 . . . . 10.0 111.485 -179.192 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.503 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 24.4 ptt? . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 109.862 -0.421 . . . . 10.0 109.862 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -94.95 133.93 38.16 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.259 -0.428 . . . . 10.0 112.062 -178.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.0 pt -123.43 163.16 23.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.211 -0.663 . . . . 10.0 109.211 178.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.572 ' O ' ' HA ' ' A' ' 66' ' ' THR . 86.9 m-85 -120.05 112.34 19.02 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.648 0.261 . . . . 10.0 110.782 -179.277 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.0 t -98.88 121.24 49.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -104.24 134.36 47.6 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.233 0.54 . . . . 10.0 111.354 -178.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.0 p -103.37 166.94 10.13 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.493 -0.776 . . . . 10.0 110.199 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.9 mt -67.89 -17.84 64.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.13 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.03 -2.31 51.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.348 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.98 16.36 61.29 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.784 -0.722 . . . . 10.0 112.792 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -100.35 139.14 36.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.734 0.302 . . . . 10.0 110.74 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 m -113.04 121.42 44.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.091 -0.504 . . . . 10.0 109.831 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.4 mt -105.71 128.65 59.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.95 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.83 117.96 30.8 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.606 -0.516 . . . . 10.0 109.606 178.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.6 mt -117.28 150.95 37.94 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.996 0.427 . . . . 10.0 111.883 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -99.84 111.65 23.96 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.413 -0.812 . . . . 10.0 109.097 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.503 ' O ' ' HG2' ' A' ' 1' ' ' MET . 14.1 m -139.38 167.57 19.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.112 -179.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.461 ' O ' HD11 ' A' ' 56' ' ' LEU . 19.6 mm-40 -127.63 157.99 71.46 Favored Pre-proline 0 C--N 1.318 -0.801 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.91 -27.37 34.9 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 122.698 2.266 . . . . 10.0 113.403 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.84 2.85 47.65 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.994 0.368 . . . . 10.0 111.994 -179.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -79.42 154.78 28.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.648 0.261 . . . . 10.0 110.93 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.474 ' O ' HG22 ' A' ' 26' ' ' VAL . 1.1 p -101.06 149.37 24.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.069 -179.416 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.6 mm -56.65 -43.35 78.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.166 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.82 -33.24 74.8 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.778 0.323 . . . . 10.0 110.71 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -71.83 -39.21 69.92 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.568 -0.531 . . . . 10.0 109.568 179.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 22' ' ' THR . 75.8 t -62.03 -42.98 96.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.806 -0.633 . . . . 10.0 109.836 178.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -62.8 -36.07 81.94 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.18 0.514 . . . . 10.0 110.104 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.39 -35.83 82.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.098 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.85 -30.6 71.24 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 109.587 -0.523 . . . . 10.0 109.587 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.4 mt -69.72 -32.42 52.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 108.585 -0.894 . . . . 10.0 108.585 177.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -71.59 -28.84 64.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.353 -0.84 . . . . 10.0 109.408 178.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -71.8 -30.34 65.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.465 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.5 mmtt -93.96 -57.94 2.39 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.72 0.637 . . . . 10.0 112.72 -178.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -92.25 -29.67 16.29 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.736 0.643 . . . . 10.0 112.736 -177.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.17 54.86 3.92 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.387 -0.911 . . . . 10.0 112.087 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.5 mt -118.02 131.65 24.07 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 109.835 -0.431 . . . . 10.0 109.835 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.61 123.46 13.4 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.846 2.364 . . . . 10.0 112.756 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -57.23 -25.04 62.59 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.992 2.461 . . . . 10.0 113.362 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -62.79 -39.37 94.03 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.929 0.395 . . . . 10.0 111.416 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.462 ' O ' ' HA ' ' A' ' 71' ' ' LEU . 64.8 mt-30 -90.34 1.21 56.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.123 -178.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -89.08 107.58 19.12 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.724 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -112.75 105.21 13.3 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.314 -0.624 . . . . 10.0 109.314 178.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.0 mt -89.6 136.53 32.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.305 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 58.2 mt -129.5 131.16 67.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.694 -0.684 . . . . 10.0 109.726 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -129.36 119.54 24.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.66 -0.245 . . . . 10.0 110.409 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.63 31.85 21.54 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.158 -0.473 . . . . 10.0 111.334 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.99 -7.96 75.37 Favored Glycine 0 C--O 1.229 -0.165 0 C-N-CA 120.794 -0.717 . . . . 10.0 112.412 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -95.55 129.65 42.66 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.281 -0.266 . . . . 10.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -76.68 131.37 38.77 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.718 -0.475 . . . . 10.0 109.718 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.5 mt -90.4 122.79 33.58 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.843 0.354 . . . . 10.0 110.872 -179.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.416 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 40.0 mt-10 -84.54 153.45 23.26 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.041 -0.527 . . . . 10.0 109.82 179.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.52 -44.56 93.88 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.348 0.499 . . . . 10.0 112.348 -178.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.63 43.36 3.05 Favored Glycine 0 CA--C 1.518 0.235 0 C-N-CA 120.98 -0.628 . . . . 10.0 113.563 -178.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.416 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 21.5 mmt180 -132.63 160.3 37.06 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.116 -0.327 . . . . 10.0 110.116 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.463 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 79.1 p -105.73 173.38 6.33 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.876 -0.416 . . . . 10.0 109.876 178.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.461 HD11 ' O ' ' A' ' 18' ' ' GLU . 29.5 mt -69.5 -30.1 67.89 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.247 0.546 . . . . 10.0 109.82 178.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.0 m -73.38 -22.15 60.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.615 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.463 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.1 m-20 -60.92 -37.65 83.02 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.874 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -105.11 11.26 33.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.734 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 57.9 t30 57.63 42.19 24.36 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.34 0.591 . . . . 10.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 92.4 mt -81.18 132.26 31.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.447 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -121.02 -163.52 1.04 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.609 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.449 ' HE3' ' OE2' ' A' ' 64' ' ' GLU . 58.6 pttt -73.51 155.03 39.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.616 0.246 . . . . 10.0 110.622 179.341 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.449 ' OE2' ' HE3' ' A' ' 63' ' ' LYS . 36.1 mt-10 67.17 8.72 6.4 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.719 -0.673 . . . . 10.0 112.277 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.9 m -70.64 127.84 34.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.771 0.319 . . . . 10.0 110.591 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.572 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 83.8 m -93.94 110.86 22.51 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.841 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mp -99.6 142.05 31.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.553 -0.749 . . . . 10.0 109.827 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -100.81 127.11 47.39 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 110.14 -0.319 . . . . 10.0 110.14 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.5 tp -107.33 114.71 28.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.027 0.442 . . . . 10.0 110.711 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 39.5 t -112.26 134.41 54.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.853 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.462 ' HA ' ' O ' ' A' ' 40' ' ' GLN . 72.4 mt . . . . . 0 C--N 1.327 -0.398 0 CA-C-O 120.847 0.356 . . . . 10.0 110.493 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.422 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 25.6 ptt? . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 109.931 -0.396 . . . . 10.0 109.931 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -104.17 137.8 41.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.751 0.31 . . . . 10.0 111.333 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 20.9 pt -122.57 160.06 25.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.707 -0.479 . . . . 10.0 109.707 178.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -119.24 109.18 15.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.951 0.405 . . . . 10.0 111.215 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 52.3 t -93.77 120.73 43.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.159 -0.473 . . . . 10.0 109.806 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -103.19 125.35 49.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.091 0.472 . . . . 10.0 111.195 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -98.16 158.22 15.68 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.891 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 80.2 mt -59.91 -14.83 17.36 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 122.692 0.397 . . . . 10.0 112.001 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.5 p -84.44 -3.6 58.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.264 -0.425 . . . . 10.0 111.707 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.3 19.42 57.1 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 10.0 111.364 -179.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -102.16 129.76 48.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.646 -0.277 . . . . 10.0 110.336 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -113.63 112.79 24.09 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.874 -0.417 . . . . 10.0 109.874 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 8.7 mt -102.67 142.33 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.606 -178.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.0 137.96 37.73 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.112 178.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 67.5 mt -138.87 131.56 29.06 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.672 -0.24 . . . . 10.0 111.016 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -82.62 114.98 21.37 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.056 -0.72 . . . . 10.0 109.056 178.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.422 ' O ' ' HG2' ' B' ' 1' ' ' MET . 16.5 m -134.58 171.13 18.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.855 -0.612 . . . . 10.0 110.448 -179.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.463 ' O ' HD12 ' B' ' 56' ' ' LEU . 15.4 mm-40 -133.09 159.79 71.25 Favored Pre-proline 0 C--N 1.32 -0.694 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 179.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.79 -27.73 54.05 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.412 2.075 . . . . 10.0 112.594 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.35 -2.06 57.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.137 -0.483 . . . . 10.0 112.133 -179.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -76.01 146.13 39.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.742 0.306 . . . . 10.0 110.306 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.453 ' O ' HG21 ' B' ' 26' ' ' VAL . 0.1 OUTLIER -98.23 149.79 22.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.009 -179.301 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 51.8 mm -57.48 -36.94 55.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.037 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -62.47 -41.65 98.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.386 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.409 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 62.4 t30 -69.21 -37.27 77.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.826 0.346 . . . . 10.0 110.523 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.453 HG21 ' O ' ' B' ' 22' ' ' THR . 88.8 t -59.83 -41.38 85.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.213 -0.449 . . . . 10.0 109.855 179.004 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.468 ' HZ3' ' CG ' ' B' ' 52' ' ' ASP . 42.3 mtmt -66.76 -33.45 75.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.594 179.274 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.22 -31.14 72.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.074 0.464 . . . . 10.0 110.111 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 91.3 mttt -69.2 -38.04 78.42 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.891 179.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 49.2 mt -71.64 -28.16 30.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 178.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.504 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 33.4 tt0 -74.16 -22.57 59.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.628 178.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -80.85 -46.57 15.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.034 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -74.48 -65.69 0.83 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.804 -0.635 . . . . 10.0 111.631 -179.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -81.04 -54.26 5.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.154 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.504 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 105.8 44.83 1.36 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.481 -0.866 . . . . 10.0 112.338 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.8 mt -105.39 123.68 38.8 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 109.969 -0.382 . . . . 10.0 109.969 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.46 140.96 74.14 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.579 2.186 . . . . 10.0 112.164 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.76 -21.01 45.89 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.892 2.394 . . . . 10.0 112.869 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.56 -32.01 62.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.588 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.486 ' HA ' ' HG2' ' B' ' 72' ' ' ARG . 68.5 mt-30 -91.98 -19.31 22.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.083 0.468 . . . . 10.0 110.442 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -79.12 97.97 6.37 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.453 -0.794 . . . . 10.0 111.606 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -103.46 99.22 9.04 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.37 -0.604 . . . . 10.0 109.37 178.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 70.4 mt -82.49 126.42 32.23 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.168 0.508 . . . . 10.0 111.186 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.447 HG12 ' CZ ' ' D' ' 468' ' ' PHE . 1.4 mp -122.97 147.4 27.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.43 -0.804 . . . . 10.0 109.531 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -140.53 118.53 11.87 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.904 -0.406 . . . . 10.0 109.904 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.89 21.52 11.72 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.898 179.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.56 18.33 38.75 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.582 -0.818 . . . . 10.0 113.059 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -132.37 163.1 29.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.477 -0.426 . . . . 10.0 110.136 179.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.71 146.33 25.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.974 0.416 . . . . 10.0 111.259 -179.176 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 61.4 mt -95.35 123.22 38.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.903 -0.589 . . . . 10.0 109.687 178.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -71.77 127.51 32.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.864 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.468 ' CG ' ' HZ3' ' B' ' 27' ' ' LYS . 0.8 OUTLIER -60.65 -33.28 72.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.366 -179.748 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.12 33.2 4.58 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.183 -0.532 . . . . 10.0 112.66 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 77.5 mmt-85 -135.36 170.78 15.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.948 0.404 . . . . 10.0 110.403 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 40.2 p -108.86 175.08 5.59 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.958 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.463 HD12 ' O ' ' B' ' 18' ' ' GLU . 47.9 mt -70.48 -28.06 64.7 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.537 179.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 15.5 m -67.73 -27.63 66.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.822 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -59.07 -42.93 91.54 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.141 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -98.0 10.05 41.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.803 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 52.3 t30 56.67 40.07 29.43 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.458 -0.792 . . . . 10.0 111.692 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 90.3 mt -74.26 116.86 17.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -103.89 -170.84 1.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.504 -178.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 48.6 pttt -70.9 146.87 49.31 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.737 -0.665 . . . . 10.0 110.778 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 59.98 34.58 21.52 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.672 -0.694 . . . . 10.0 112.297 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 22.3 m -95.66 142.05 28.42 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.22 -0.289 . . . . 10.0 110.22 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 29.4 m -88.26 119.94 29.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.935 0.398 . . . . 10.0 111.255 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -102.23 135.53 43.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.415 178.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -89.65 129.8 36.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.779 0.323 . . . . 10.0 110.427 -179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 49.7 tp -116.97 110.86 18.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.932 0.396 . . . . 10.0 110.388 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 74.2 t -99.64 132.51 44.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.801 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 30.2 mt -87.03 133.06 33.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.086 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.563 ' HB2' ' OD1' ' D' ' 491' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 CA-C-O 120.979 0.419 . . . . 10.0 110.556 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.208 0 CA-C-O 120.803 0.335 . . . . 10.0 111.365 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -67.56 -41.32 84.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.049 0.452 . . . . 10.0 110.514 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 71.8 mt -66.96 -37.02 83.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.883 -0.599 . . . . 10.0 109.937 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -63.33 -37.65 88.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.487 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.71 94.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.754 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 48.2 mtm -73.67 -44.61 56.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.585 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.46 -35.99 79.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.76 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -57.27 -40.58 78.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.674 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -72.1 -35.8 69.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.064 0.459 . . . . 10.0 110.503 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 93.6 mt -68.94 -34.57 64.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.484 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -62.01 -29.2 70.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.372 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -73.38 -36.37 66.07 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.535 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 22.9 mmt -71.19 -42.02 69.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.615 -179.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 468' ' ' PHE . . . . . 0.447 ' CZ ' HG12 ' B' ' 44' ' ' ILE . 16.2 m-85 -123.19 83.2 51.61 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.387 179.24 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -75.84 45.24 1.45 Allowed 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 122.464 2.109 . . . . 10.0 112.986 -179.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -157.24 23.21 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.36 . . . . 10.0 111.239 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 471' ' ' VAL . . . . . 0.439 HG13 ' O ' ' D' ' 468' ' ' PHE . 7.3 p -120.48 132.02 24.27 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 110.039 -0.356 . . . . 10.0 110.039 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 472' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -57.2 122.97 12.73 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.565 2.176 . . . . 10.0 112.302 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -55.36 -38.46 68.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.439 -0.8 . . . . 10.0 112.075 -178.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 31.3 p-80 -65.54 -24.82 67.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.746 0.308 . . . . 10.0 111.072 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 33.4 mt -83.22 -32.52 26.45 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.583 -0.525 . . . . 10.0 109.583 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 40.6 t -66.98 -45.31 87.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 109.343 -0.614 . . . . 10.0 109.343 178.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 46.8 mt -63.51 -25.26 68.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.567 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -63.82 -55.66 21.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.357 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -68.65 -29.28 67.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.798 0.332 . . . . 10.0 110.511 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.11 -23.07 66.32 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.156 178.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -92.59 -17.91 23.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.064 -0.517 . . . . 10.0 109.93 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -88.72 -59.16 2.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.202 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 67.1 p -90.46 -42.31 10.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.641 -178.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 64.48 41.02 5.86 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.453 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 12.3 t -154.49 124.68 6.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.665 -179.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 34.4 m -66.58 -24.64 33.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.904 0.383 . . . . 10.0 111.246 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -78.9 -5.23 53.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.079 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 53.4 mt -116.65 -44.75 3.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 110.083 -0.34 . . . . 10.0 110.083 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 86.9 m -58.0 -67.19 0.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.039 -0.528 . . . . 10.0 112.004 -178.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -55.61 -37.63 68.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.995 0.426 . . . . 10.0 111.67 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 491' ' ' ASP . . . . . 0.563 ' OD1' ' HB2' ' B' ' 72' ' ' ARG . 24.0 t70 -68.64 -55.52 11.22 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.918 -179.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.34 -31.5 69.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.629 -179.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 75.6 mt -64.82 -41.84 93.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 109.33 -0.618 . . . . 10.0 109.33 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.39 -39.55 91.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.476 -0.784 . . . . 10.0 110.886 179.392 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -74.3 -50.16 20.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.791 -0.641 . . . . 10.0 111.232 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 136.45 84.56 0.16 Allowed Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.86 -0.686 . . . . 10.0 111.951 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 497' ' ' ARG . . . . . 0.407 ' HB3' HD11 ' D' ' 498' ' ' ILE . 2.2 tpp180 -133.18 -48.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.932 0.396 . . . . 10.0 110.261 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 498' ' ' ILE . . . . . 0.407 HD11 ' HB3' ' D' ' 497' ' ' ARG . 3.8 mp -95.87 143.82 11.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.944 0.402 . . . . 10.0 111.018 179.659 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.482 1.15 0 N-CA-C 109.818 -0.438 . . . . 10.0 109.818 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -105.86 135.36 47.43 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.941 0.401 . . . . 10.0 111.25 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.4 pt -115.73 162.71 13.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.817 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.454 ' O ' ' HA ' ' A' ' 66' ' ' THR . 55.6 m-85 -117.75 109.5 16.68 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.894 0.378 . . . . 10.0 110.678 -179.345 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 37.2 t -96.84 113.32 30.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.158 -0.474 . . . . 10.0 109.894 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.9 tttp -96.77 125.95 41.58 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.901 0.382 . . . . 10.0 111.178 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.41 157.34 15.95 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.624 178.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 38.6 mt -60.84 -16.65 43.55 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.928 0.394 . . . . 10.0 111.808 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.13 -13.22 60.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.351 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.39 9.54 55.11 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.969 -0.634 . . . . 10.0 111.658 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.44 ' HZ3' ' CD ' ' A' ' 34' ' ' GLU . 84.8 tttt -97.74 131.99 43.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.658 0.266 . . . . 10.0 110.409 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.1 m -112.05 114.26 27.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.225 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.6 mt -94.45 144.09 10.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.935 -178.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -111.88 118.24 34.96 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.754 -0.462 . . . . 10.0 109.754 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.2 mt -120.93 150.3 41.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.782 0.325 . . . . 10.0 111.529 -178.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -95.66 115.34 27.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.771 -0.65 . . . . 10.0 109.481 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.2 m -140.74 179.43 2.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.148 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.49 ' O ' HD11 ' A' ' 56' ' ' LEU . 6.2 mm-40 -140.84 155.71 69.0 Favored Pre-proline 0 C--N 1.32 -0.698 0 N-CA-C 108.095 -1.076 . . . . 10.0 108.095 178.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -50.9 -30.71 31.2 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.501 2.134 . . . . 10.0 113.366 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.73 0.73 25.63 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.55 0.574 . . . . 10.0 112.55 -179.11 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -83.3 152.05 25.3 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.748 0.309 . . . . 10.0 110.394 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.446 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -99.07 150.48 21.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.871 -179.54 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.1 mm -58.4 -34.69 51.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.021 0.438 . . . . 10.0 110.613 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -59.83 -44.38 94.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.467 178.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -68.28 -37.93 81.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.327 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 22' ' ' THR . 60.5 t -62.24 -42.34 94.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.255 -0.429 . . . . 10.0 109.873 179.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -63.84 -36.61 84.46 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.068 -0.515 . . . . 10.0 109.955 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.23 -36.44 83.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.975 178.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -65.25 -36.95 85.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.035 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.7 mt -69.63 -37.93 75.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.248 -0.649 . . . . 10.0 109.248 178.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -66.33 -35.08 79.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.49 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -68.85 -33.32 73.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.809 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -92.21 -62.34 1.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.385 0.513 . . . . 10.0 112.385 -179.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.44 ' CD ' ' HZ3' ' A' ' 11' ' ' LYS . 17.5 mm-40 -69.62 -46.52 66.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.745 0.307 . . . . 10.0 111.09 -178.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.01 -3.19 31.62 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.553 -0.832 . . . . 10.0 112.345 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 34.4 mt -78.66 126.27 82.94 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 110.557 -0.164 . . . . 10.0 110.557 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -59.74 143.82 99.56 Favored 'Trans proline' 0 CA--C 1.529 0.265 0 C-N-CA 122.492 2.128 . . . . 10.0 112.137 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -68.17 -8.51 23.03 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.963 2.442 . . . . 10.0 113.417 -178.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -72.18 -38.91 68.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.073 0.464 . . . . 10.0 111.008 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -90.29 -11.23 41.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.357 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -74.3 111.11 9.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.44 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 42' ' ' ARG . 10.2 mmt85 -112.27 99.01 7.69 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.1 mt -89.01 127.59 35.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.881 -0.599 . . . . 10.0 111.396 -179.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mp -126.96 134.54 65.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.698 -0.683 . . . . 10.0 109.328 179.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -115.03 98.19 6.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.577 0.227 . . . . 10.0 110.723 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.44 55.35 7.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.737 -0.665 . . . . 10.0 112.465 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.35 12.18 84.81 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.908 -0.663 . . . . 10.0 113.477 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -123.22 111.22 16.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.757 0.278 . . . . 10.0 110.489 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -65.53 130.08 42.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.363 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.6 mt -93.9 135.49 35.18 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.802 0.334 . . . . 10.0 110.858 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -100.56 152.33 20.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.168 179.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.95 -45.96 89.19 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.517 0.562 . . . . 10.0 112.517 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.28 27.0 2.46 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 121.028 -0.606 . . . . 10.0 114.392 -178.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.403 ' HG3' ' OH ' ' A' ' 59' ' ' TYR . 22.8 mmt180 -120.54 153.76 36.28 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.217 0.509 . . . . 10.0 110.383 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.1 p -99.08 165.96 11.48 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.652 -0.499 . . . . 10.0 109.652 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.49 HD11 ' O ' ' A' ' 18' ' ' GLU . 97.4 mt -64.18 -32.36 73.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.027 0.441 . . . . 10.0 110.01 179.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.86 -22.25 64.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.17 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -70.0 -22.23 63.15 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.352 -0.386 . . . . 10.0 111.434 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.403 ' OH ' ' HG3' ' A' ' 54' ' ' ARG . 90.1 m-85 -113.94 11.45 17.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.63 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 61.5 30.98 19.03 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.387 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 85.9 mt -77.75 111.71 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.378 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -103.88 -165.23 1.13 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.855 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -71.25 150.3 45.38 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.928 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 64.49 17.74 10.99 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.625 -0.716 . . . . 10.0 112.535 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.6 m -79.96 141.35 36.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.688 0.28 . . . . 10.0 110.662 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 1.9 m -98.79 127.16 44.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.119 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -111.24 144.2 40.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.904 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -98.99 125.58 44.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.64 -0.254 . . . . 10.0 110.583 -179.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.4 tp -108.17 109.24 20.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.14 0.495 . . . . 10.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 28.4 t -107.71 146.5 13.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.643 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.5 mt . . . . . 0 C--N 1.325 -0.474 0 N-CA-C 110.241 -0.281 . . . . 10.0 110.241 179.959 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.4 ptt? . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 110.176 -0.305 . . . . 10.0 110.176 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -103.89 145.08 30.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.881 0.372 . . . . 10.0 111.25 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 18.3 pt -132.2 158.99 43.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.058 -0.519 . . . . 10.0 109.675 178.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -119.06 103.49 9.6 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.711 0.291 . . . . 10.0 110.422 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 37.0 t -93.0 120.34 42.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.162 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -99.92 151.7 21.01 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.781 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 12.4 p -127.3 160.97 29.71 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.361 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 25.2 mt -62.7 -23.11 66.98 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.086 0.469 . . . . 10.0 110.906 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.41 -14.79 60.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.409 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.95 18.1 45.04 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.938 -0.649 . . . . 10.0 112.116 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -101.01 133.31 45.7 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.68 0.276 . . . . 10.0 110.552 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 21.8 m -101.32 119.51 38.87 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.228 -0.442 . . . . 10.0 109.912 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 26.1 mt -101.95 123.14 54.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.794 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.78 126.37 47.34 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.888 -0.597 . . . . 10.0 109.844 178.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.9 mt -136.83 151.23 48.9 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.005 0.431 . . . . 10.0 111.485 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -87.78 116.39 25.9 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.479 -0.782 . . . . 10.0 110.286 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 18.7 m -138.91 167.71 20.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.065 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.541 ' O ' HD12 ' B' ' 56' ' ' LEU . 10.3 mm-40 -139.07 158.88 68.74 Favored Pre-proline 0 C--N 1.32 -0.712 0 N-CA-C 108.927 -0.768 . . . . 10.0 108.927 179.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.29 -25.53 30.97 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.521 2.147 . . . . 10.0 113.287 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -87.01 1.14 53.82 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.249 0.462 . . . . 10.0 112.249 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -76.71 157.2 31.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.805 0.336 . . . . 10.0 110.405 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.441 ' O ' HG21 ' B' ' 26' ' ' VAL . 0.2 OUTLIER -104.48 144.41 31.71 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.635 -179.15 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.2 mm -56.31 -41.42 70.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-O 120.791 0.329 . . . . 10.0 110.689 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -60.85 -41.98 96.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.171 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -66.01 -38.12 87.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.376 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.441 HG21 ' O ' ' B' ' 22' ' ' THR . 94.8 t -59.34 -44.26 91.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -63.61 -35.22 79.81 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.308 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.36 -34.0 77.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.127 0.489 . . . . 10.0 109.926 178.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -69.91 -36.17 75.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.775 -0.648 . . . . 10.0 109.844 178.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 69.1 mt -70.2 -33.2 53.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.461 -0.57 . . . . 10.0 109.461 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -67.83 -23.59 65.19 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.57 -0.741 . . . . 10.0 110.303 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -73.38 -44.73 57.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.496 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -80.69 -53.13 6.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.809 -0.632 . . . . 10.0 112.103 -178.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -80.03 -60.69 2.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.622 0.248 . . . . 10.0 111.318 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.91 -5.47 13.84 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.474 -0.87 . . . . 10.0 112.402 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.2 mt -76.81 126.94 85.14 Favored Pre-proline 0 C--N 1.329 -0.314 0 N-CA-C 110.3 -0.259 . . . . 10.0 110.3 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.12 138.05 78.01 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.851 2.367 . . . . 10.0 112.387 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.58 -24.71 46.22 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.228 2.619 . . . . 10.0 113.093 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.05 -29.82 70.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.124 0.488 . . . . 10.0 111.02 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -100.76 5.64 43.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.037 -0.528 . . . . 10.0 110.953 -179.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -96.06 115.28 27.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.664 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.474 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 34.5 mtp180 -109.61 105.08 14.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.107 179.273 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 28.5 mt -90.57 123.33 34.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.008 0.432 . . . . 10.0 111.183 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -118.74 132.67 67.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.31 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -121.25 112.92 19.22 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.914 -0.585 . . . . 10.0 109.699 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.35 22.81 8.21 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.716 -0.674 . . . . 10.0 112.641 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.61 0.59 43.07 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.594 -0.812 . . . . 10.0 113.792 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -117.99 146.36 44.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 117.145 0.472 . . . . 10.0 110.401 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.425 HE21 ' HB3' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -84.08 142.56 30.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.94 0.4 . . . . 10.0 110.941 -179.527 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 30.8 mt -95.48 123.91 39.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.081 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.448 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 15.6 mt-10 -76.73 142.37 40.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.31 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.13 -54.33 21.41 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.951 0.723 . . . . 10.0 112.951 -178.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.59 51.38 4.4 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.001 -0.618 . . . . 10.0 113.99 -178.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.448 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 31.4 mmt180 -135.86 158.08 45.29 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.978 -0.379 . . . . 10.0 109.978 179.309 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.444 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 23.5 p -101.59 163.12 12.42 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.541 HD12 ' O ' ' B' ' 18' ' ' GLU . 90.4 mt -64.43 -29.93 70.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.008 0.432 . . . . 10.0 110.663 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 5.1 p -75.26 -16.45 60.45 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.877 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' B' ' 55' ' ' THR . 17.2 m-20 -68.71 -28.02 66.47 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.145 0.498 . . . . 10.0 110.612 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -108.45 16.15 23.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.601 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 57.63 33.81 23.71 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.537 -0.756 . . . . 10.0 112.161 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 76.2 mt -76.18 115.63 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 N-CA-C 109.581 -0.526 . . . . 10.0 109.581 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -101.18 -173.86 2.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.461 -178.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 44.1 pttt -66.43 137.63 56.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.658 -0.701 . . . . 10.0 111.131 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 61.91 65.01 0.94 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.915 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.0 m -119.41 146.78 45.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.563 -0.744 . . . . 10.0 110.453 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 92.5 m -91.02 127.9 36.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.979 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -119.26 137.61 53.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.474 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 28.4 m80 -102.28 120.83 41.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.875 0.369 . . . . 10.0 110.837 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 55.2 tp -102.02 97.62 7.93 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.891 -0.411 . . . . 10.0 109.891 179.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.474 ' HB ' ' HB2' ' B' ' 42' ' ' ARG . 70.1 t -76.57 119.47 24.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.278 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 27.6 mt -78.21 130.91 36.86 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.249 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.321 -0.656 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.978 0.418 . . . . 10.0 111.048 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 456' ' ' GLN . . . . . 0.468 ' O ' ' HB2' ' D' ' 460' ' ' MET . 69.8 mm-40 -66.77 -34.61 78.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.969 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.1 -49.02 66.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.788 0.327 . . . . 10.0 110.417 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -63.72 -42.88 97.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.561 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.79 -41.35 97.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.892 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 460' ' ' MET . . . . . 0.468 ' HB2' ' O ' ' D' ' 456' ' ' GLN . 9.5 ttm -64.76 -40.5 95.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.185 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -66.85 -30.17 70.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.865 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 53.3 t60 -60.94 -34.74 75.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.901 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -66.39 -38.62 87.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.847 179.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 57.5 mt -72.51 -35.4 51.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.706 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 41.8 tp60 -60.23 -31.17 69.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.05 0.453 . . . . 10.0 110.74 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -80.57 -23.8 39.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.805 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 87.6 mmm -87.94 -33.79 18.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.832 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 468' ' ' PHE . . . . . 0.437 ' O ' HG13 ' D' ' 471' ' ' VAL . 0.1 OUTLIER -123.96 81.79 56.26 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.869 179.548 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -76.69 44.06 1.35 Allowed 'Trans proline' 0 CA--C 1.529 0.24 0 C-N-CA 123.134 2.556 . . . . 10.0 113.039 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -156.68 24.98 0.33 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.831 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 471' ' ' VAL . . . . . 0.437 HG13 ' O ' ' D' ' 468' ' ' PHE . 12.0 p -128.81 134.54 26.42 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.476 -0.329 . . . . 10.0 110.459 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 472' ' ' PRO . . . . . 0.458 ' HG2' HD11 ' D' ' 475' ' ' LEU . 32.4 Cg_exo -61.37 127.25 21.39 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.719 2.279 . . . . 10.0 112.09 179.179 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -52.71 -45.0 66.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.611 -0.722 . . . . 10.0 112.559 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 31.5 p-80 -62.92 -31.73 72.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.631 0.253 . . . . 10.0 111.572 -178.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 475' ' ' LEU . . . . . 0.458 HD11 ' HG2' ' D' ' 472' ' ' PRO . 13.2 mt -74.8 -31.6 61.76 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.857 -0.337 . . . . 10.0 110.191 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 476' ' ' VAL . . . . . 0.433 HG23 ' O ' ' D' ' 472' ' ' PRO . 35.5 t -67.92 -41.3 84.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 108.673 -0.862 . . . . 10.0 108.673 178.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.22 -28.7 70.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.342 -0.845 . . . . 10.0 110.445 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -62.53 -57.68 10.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.422 179.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -64.87 -34.55 78.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.511 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.11 -28.9 66.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.146 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -85.7 -9.33 57.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.145 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -105.92 -51.9 2.9 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.779 0.289 . . . . 10.0 111.779 -179.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 69.5 p -89.22 -37.2 15.16 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.598 0.222 . . . . 10.0 111.598 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 63.82 33.42 12.73 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.131 -0.486 . . . . 10.0 112.006 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 485' ' ' SER . . . . . 0.464 ' OG ' HG13 ' D' ' 488' ' ' ILE . 1.1 t -147.17 132.0 18.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.522 -0.308 . . . . 10.0 110.171 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 18.5 m -63.7 -36.21 75.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.23 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -66.16 -47.05 75.25 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.837 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 488' ' ' ILE . . . . . 0.464 HG13 ' OG ' ' D' ' 485' ' ' SER . 14.5 mt -69.03 -43.31 82.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 121.045 -0.262 . . . . 10.0 111.478 -179.259 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 489' ' ' THR . . . . . 0.509 ' O ' HG13 ' D' ' 493' ' ' ILE . 90.6 m -61.16 -53.19 60.05 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.897 0.332 . . . . 10.0 111.897 -179.109 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 2.8 m -62.22 -36.95 83.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.844 0.354 . . . . 10.0 110.938 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -68.18 -43.9 77.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.088 0.47 . . . . 10.0 109.957 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 492' ' ' ASN . . . . . 0.403 ' HB3' ' HB3' ' D' ' 497' ' ' ARG . 4.9 m-20 -54.12 -41.86 68.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.454 -0.794 . . . . 10.0 110.664 179.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 493' ' ' ILE . . . . . 0.509 HG13 ' O ' ' D' ' 489' ' ' THR . 56.8 mt -61.13 -45.16 99.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.65 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 3.6 mt -66.83 -34.45 77.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.764 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -73.92 -27.02 60.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.929 0.395 . . . . 10.0 110.965 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 111.66 24.24 5.35 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.591 -0.814 . . . . 10.0 112.87 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 497' ' ' ARG . . . . . 0.403 ' HB3' ' HB3' ' D' ' 492' ' ' ASN . 19.3 tpp180 -79.73 -40.49 28.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.238 0.542 . . . . 10.0 109.859 179.35 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 3.1 mp -97.15 127.7 49.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.429 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.872 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.537 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 23.3 ptt? . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 110.252 -0.277 . . . . 10.0 110.252 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -104.69 136.37 44.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.593 0.235 . . . . 10.0 110.941 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.5 pt -126.54 158.44 36.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 178.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -118.5 112.73 20.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.746 0.308 . . . . 10.0 111.201 -179.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.8 t -101.74 118.37 48.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.175 -0.466 . . . . 10.0 109.906 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -102.67 135.17 44.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.876 0.369 . . . . 10.0 111.033 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.7 p -101.41 174.61 5.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.674 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.7 mt -73.13 -13.48 61.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.979 0.419 . . . . 10.0 110.887 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 m -87.6 -14.02 41.24 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.107 0.48 . . . . 10.0 110.876 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.72 -13.7 53.53 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.964 -0.636 . . . . 10.0 111.777 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.432 ' HZ3' ' CD ' ' A' ' 34' ' ' GLU . 82.2 tttt -65.39 121.42 14.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.948 0.404 . . . . 10.0 110.736 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.3 m -103.15 108.6 19.85 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.201 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.2 mt -91.09 126.74 43.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.166 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.6 m -98.32 110.36 22.96 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.697 -0.483 . . . . 10.0 109.697 179.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.8 mt -110.07 149.43 30.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.018 0.437 . . . . 10.0 111.274 -179.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -107.4 108.23 19.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.738 -0.664 . . . . 10.0 109.83 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.537 ' O ' ' HG2' ' A' ' 1' ' ' MET . 12.8 m -136.04 -176.98 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.919 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.522 ' O ' HD11 ' A' ' 56' ' ' LEU . 20.0 mm-40 -131.36 153.57 81.67 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 109.066 -0.716 . . . . 10.0 109.066 179.163 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -53.06 -27.88 38.28 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.542 2.161 . . . . 10.0 112.751 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -80.57 7.45 9.98 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.975 -179.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -89.66 150.75 22.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.773 0.32 . . . . 10.0 110.789 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.76 148.04 22.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.13 -0.487 . . . . 10.0 110.736 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 51.6 mm -57.44 -39.22 67.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.035 0.445 . . . . 10.0 110.488 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -60.71 -39.18 87.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.64 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -69.86 -38.0 76.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.35 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.4 t -61.88 -43.38 97.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 10.0 109.885 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -63.62 -35.62 81.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.512 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.33 -28.0 68.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.508 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -78.2 -28.69 48.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.844 -0.616 . . . . 10.0 109.819 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 75.0 mt -71.51 -33.99 51.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.031 -0.729 . . . . 10.0 109.031 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -70.64 -27.21 63.88 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.067 178.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -68.08 -36.22 79.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.025 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -88.03 -67.44 0.83 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.338 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.432 ' CD ' ' HZ3' ' A' ' 11' ' ' LYS . 18.7 mm-40 -71.08 -59.14 2.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.304 -178.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.09 -4.47 11.35 Favored Glycine 0 C--O 1.229 -0.186 0 C-N-CA 120.878 -0.677 . . . . 10.0 112.149 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 24.1 mt -69.09 126.24 92.6 Favored Pre-proline 0 C--N 1.327 -0.396 0 N-CA-C 110.368 -0.234 . . . . 10.0 110.368 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.434 ' HB2' ' OD1' ' A' ' 39' ' ' ASP . 32.5 Cg_exo -57.27 145.24 88.24 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.657 2.238 . . . . 10.0 112.054 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -61.91 -20.66 70.2 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.853 2.369 . . . . 10.0 113.243 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.434 ' OD1' ' HB2' ' A' ' 37' ' ' PRO . 24.8 p30 -85.56 -12.08 52.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.906 0.384 . . . . 10.0 110.942 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -106.9 8.23 30.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.977 -0.556 . . . . 10.0 109.897 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 37' ' ' PRO . 77.3 mt-30 -104.12 125.6 50.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.451 -0.795 . . . . 10.0 110.687 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -120.5 95.37 4.7 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 178.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 mt -85.58 132.5 34.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.174 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 86.8 mt -124.44 135.2 64.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.107 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -138.0 125.14 21.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.383 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.77 29.03 18.16 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.026 -0.534 . . . . 10.0 112.078 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.5 3.01 86.91 Favored Glycine 0 C--N 1.329 0.167 0 C-N-CA 120.606 -0.807 . . . . 10.0 113.033 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -116.53 146.28 42.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.774 0.321 . . . . 10.0 110.457 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -84.96 138.34 32.54 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.748 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.9 mt -86.56 141.42 29.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.957 0.408 . . . . 10.0 111.113 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.43 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 5.4 mt-10 -99.84 149.12 23.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.901 -0.59 . . . . 10.0 109.888 179.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.88 -43.01 99.72 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.028 0.751 . . . . 10.0 113.028 -178.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 30.83 3.15 Favored Glycine 0 CA--C 1.516 0.155 0 C-N-CA 120.828 -0.701 . . . . 10.0 113.748 -178.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.43 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 22.5 mmt180 -121.35 159.69 25.57 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.806 0.336 . . . . 10.0 110.531 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.424 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 15.7 p -106.03 165.91 10.87 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.49 178.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.522 HD11 ' O ' ' A' ' 18' ' ' GLU . 94.2 mt -65.08 -33.88 77.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.91 0.386 . . . . 10.0 110.205 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.32 -20.64 63.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.286 179.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 55' ' ' THR . 14.7 m-20 -65.41 -37.66 87.61 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.009 0.433 . . . . 10.0 110.475 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -98.09 9.96 41.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.563 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 56.9 t30 63.17 29.91 16.01 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.426 -0.806 . . . . 10.0 110.901 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 86.3 mt -74.56 125.09 33.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.815 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -119.83 -163.52 1.0 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.856 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.403 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 61.7 pttt -73.49 148.63 42.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.05 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 68.51 12.13 8.6 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.375 -0.83 . . . . 10.0 112.136 179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.4 m -78.24 143.39 37.14 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 110.119 -0.326 . . . . 10.0 110.119 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 m -99.75 132.07 45.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.372 -0.377 . . . . 10.0 111.227 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -121.27 135.78 55.07 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 47.6 m80 -98.52 132.61 43.81 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.625 0.25 . . . . 10.0 110.601 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.9 tp -112.42 111.66 22.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.74 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.7 t -98.72 132.77 43.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.894 -0.593 . . . . 10.0 109.896 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 94.5 mt . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.266 -0.424 . . . . 10.0 111.023 -179.778 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.0 ptt? . . . . . 0 N--CA 1.477 0.896 0 N-CA-C 109.527 -0.545 . . . . 10.0 109.527 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -113.37 156.27 23.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.995 0.426 . . . . 10.0 111.19 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.1 pt -133.72 159.91 42.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.5 -0.773 . . . . 10.0 109.817 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -111.15 95.88 5.8 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.973 0.416 . . . . 10.0 110.791 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 40.2 t -81.75 107.29 13.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -101.19 143.41 31.31 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.728 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.3 p -116.18 163.84 15.37 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.583 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 10.1 mt -61.89 -20.63 63.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.097 -0.501 . . . . 10.0 111.56 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.29 1.64 52.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.848 0.356 . . . . 10.0 111.63 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.7 23.89 61.38 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.854 -0.688 . . . . 10.0 113.378 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -102.39 121.36 42.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.907 0.353 . . . . 10.0 110.396 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.8 m -97.21 115.55 27.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.906 0.384 . . . . 10.0 110.105 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 mt -109.27 135.24 48.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 120.804 0.335 . . . . 10.0 111.069 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.97 137.58 51.51 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.103 -0.499 . . . . 10.0 109.809 178.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.5 mt -145.34 148.55 33.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.773 0.321 . . . . 10.0 110.962 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -72.11 123.23 22.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.103 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 m -136.49 142.09 39.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.963 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.561 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 7.8 mm-40 -103.44 162.53 19.73 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 115.879 -0.601 . . . . 10.0 109.901 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -60.19 -32.34 94.32 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 121.959 1.773 . . . . 10.0 111.573 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.48 10.51 27.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.534 -0.757 . . . . 10.0 111.81 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.561 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.3 OUTLIER -74.82 112.44 11.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.578 -0.283 . . . . 10.0 110.31 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.44 145.47 49.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.397 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.4 mm -53.66 -34.95 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.922 0.392 . . . . 10.0 110.661 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -61.07 -36.28 79.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.731 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.42 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 64.4 t30 -77.35 -36.23 53.96 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.781 -0.452 . . . . 10.0 109.781 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.2 t -60.82 -44.99 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.163 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -63.06 -29.03 70.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.842 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.26 -35.01 71.24 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.024 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 40.7 mttt -69.24 -35.16 75.84 Favored 'General case' 0 C--N 1.334 -0.073 0 CA-C-N 116.022 -0.535 . . . . 10.0 109.894 179.163 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 78.7 mt -66.12 -39.17 83.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.792 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -69.84 -23.99 63.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.228 0.537 . . . . 10.0 109.922 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -69.68 -35.18 74.91 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.267 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -93.28 -52.34 4.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.979 -0.555 . . . . 10.0 112.242 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -80.77 -45.17 17.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.911 0.386 . . . . 10.0 111.897 -178.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.53 -18.46 38.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.813 -0.708 . . . . 10.0 112.001 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 74.0 mt -64.13 124.03 84.1 Favored Pre-proline 0 C--N 1.329 -0.325 0 C-N-CA 122.219 0.208 . . . . 10.0 110.524 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.0 140.35 69.66 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.846 2.364 . . . . 10.0 112.501 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_exo -58.16 -23.71 62.96 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.983 2.455 . . . . 10.0 112.862 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -67.27 -26.38 66.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.125 0.488 . . . . 10.0 111.146 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -97.69 6.73 47.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.504 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -100.49 113.42 26.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.262 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.455 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 15.5 ttt180 -109.8 104.67 13.66 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.938 -0.764 . . . . 10.0 108.938 178.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 11.1 mt -89.9 128.63 36.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.458 -177.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -125.81 134.35 66.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.402 -0.817 . . . . 10.0 110.56 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -129.44 123.59 31.97 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.996 -0.742 . . . . 10.0 108.996 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.35 23.56 13.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.848 -0.614 . . . . 10.0 111.367 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.06 10.85 65.82 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.854 -0.688 . . . . 10.0 113.45 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -125.42 152.1 45.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 117.042 0.421 . . . . 10.0 110.954 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -78.69 148.7 33.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.436 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 33.5 mt -105.85 143.01 34.6 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.792 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.42 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 16.1 mt-10 -85.49 143.99 28.21 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 178.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.23 -38.3 79.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.772 0.32 . . . . 10.0 111.813 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.08 46.32 3.06 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 121.022 -0.608 . . . . 10.0 113.048 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.42 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 21.8 mmt180 -128.4 158.09 39.25 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.366 -0.235 . . . . 10.0 110.366 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 7.1 p -108.28 168.91 8.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.319 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.22 -40.22 93.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.05 0.453 . . . . 10.0 111.106 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.39 -16.39 62.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.685 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -68.3 -36.85 79.97 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.053 0.454 . . . . 10.0 110.601 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -100.25 14.66 30.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.052 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 64.9 t30 57.12 47.5 17.14 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.158 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.0 mt -82.4 116.57 26.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -91.74 -178.36 5.03 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.472 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -76.06 150.64 37.28 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.261 -0.274 . . . . 10.0 110.261 179.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 62.14 35.12 15.86 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 123.564 0.54 . . . . 10.0 111.502 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 26.6 m -96.53 147.28 24.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.938 0.399 . . . . 10.0 110.813 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 49.0 m -87.27 129.04 35.14 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.789 -0.641 . . . . 10.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 4.2 mp -110.82 123.96 51.1 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.556 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 34.5 m80 -88.08 112.58 22.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.046 0.451 . . . . 10.0 111.045 -179.145 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 53.8 tp -100.69 96.79 7.57 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.045 -0.525 . . . . 10.0 109.906 179.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.455 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 89.0 t -77.31 127.01 38.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.249 -179.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 30.2 mt -90.07 141.22 28.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.679 -0.691 . . . . 10.0 109.69 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.434 0 CA-C-O 120.772 0.32 . . . . 10.0 111.008 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.593 0.235 . . . . 10.0 111.276 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -65.4 -40.46 93.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.888 0.375 . . . . 10.0 110.486 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 84.8 mt -68.75 -38.13 79.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.222 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -65.33 -47.86 75.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.922 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.25 -33.97 76.65 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.798 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 22.2 ttm -68.44 -39.04 81.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.247 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -66.23 -34.49 78.12 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.193 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -57.1 -35.53 69.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.542 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -65.21 -40.03 93.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.517 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 32.8 mt -77.33 -28.62 16.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.611 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -65.18 -26.98 68.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.082 0.467 . . . . 10.0 110.149 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -82.54 -23.71 34.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.784 -0.643 . . . . 10.0 110.269 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 467' ' ' MET . . . . . 0.556 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 27.4 mmm -86.08 -36.55 19.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.354 -0.839 . . . . 10.0 110.579 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 468' ' ' PHE . . . . . 0.441 ' O ' HG13 ' D' ' 471' ' ' VAL . 8.8 m-85 -126.72 80.8 69.91 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.389 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -76.78 32.46 0.42 Allowed 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 122.609 2.206 . . . . 10.0 112.744 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -134.27 10.12 3.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.029 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 471' ' ' VAL . . . . . 0.441 HG13 ' O ' ' D' ' 468' ' ' PHE . 13.9 p -122.18 135.6 25.59 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.359 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 472' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -58.25 135.08 65.85 Favored 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 122.677 2.251 . . . . 10.0 112.713 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -56.12 -41.48 75.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.506 -0.77 . . . . 10.0 112.542 -178.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 40.2 p-80 -64.46 -30.89 71.92 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.689 0.255 . . . . 10.0 111.689 -178.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 31.0 mt -74.78 -32.84 62.14 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.753 0.311 . . . . 10.0 110.476 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 34.8 t -68.73 -42.76 83.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 108.951 -0.759 . . . . 10.0 108.951 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 2.3 mt -66.03 -22.5 66.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.364 -0.835 . . . . 10.0 110.93 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 478' ' ' GLN . . . . . 0.417 HE21 ' HB3' ' D' ' 478' ' ' GLN . 3.8 tt0 -65.65 -50.76 63.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.288 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -69.47 -32.81 71.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.222 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 480' ' ' LEU . . . . . 0.564 ' O ' ' HG3' ' D' ' 484' ' ' ARG . 0.3 OUTLIER -61.35 -22.33 64.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.824 179.255 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -91.81 4.47 52.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.143 -0.481 . . . . 10.0 111.021 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.14 -48.27 1.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.809 0.337 . . . . 10.0 110.853 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 67.7 p -93.5 -42.89 8.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.476 -0.329 . . . . 10.0 111.196 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 484' ' ' ARG . . . . . 0.564 ' HG3' ' O ' ' D' ' 480' ' ' LEU . 1.8 mpt_? 64.74 35.78 8.55 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.782 -0.645 . . . . 10.0 111.294 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 4.0 t -151.53 129.67 11.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.78 0.324 . . . . 10.0 110.988 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 35.1 m -68.37 -26.11 32.97 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-O 121.038 0.447 . . . . 10.0 110.465 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -74.23 -5.35 41.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.741 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 40.7 mt -117.0 -51.81 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.857 179.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 489' ' ' THR . . . . . 0.442 ' O ' HG13 ' D' ' 493' ' ' ILE . 46.0 m -52.98 -48.33 67.54 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.675 0.62 . . . . 10.0 112.675 -179.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 1.4 m -60.98 -41.93 97.37 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.675 0.25 . . . . 10.0 111.675 -178.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -71.1 -36.74 72.31 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -56.32 -40.26 74.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.237 -0.892 . . . . 10.0 110.641 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 493' ' ' ILE . . . . . 0.442 HG13 ' O ' ' D' ' 489' ' ' THR . 75.4 mt -66.46 -40.97 87.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.775 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 12.3 mt -65.9 -38.09 87.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.486 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -73.02 -43.97 61.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.1 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 124.47 32.03 0.86 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.561 -0.828 . . . . 10.0 112.139 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -84.27 -28.8 26.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.438 0.637 . . . . 10.0 109.465 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 3.7 mp -108.27 136.36 44.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.189 -0.914 . . . . 10.0 109.325 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 . . . . . 0 C--N 1.328 -0.353 0 O-C-N 123.328 0.393 . . . . 10.0 111.045 -179.792 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 120.801 0.334 . . . . 10.0 110.214 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -104.05 142.56 34.24 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.553 -0.294 . . . . 10.0 110.956 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.4 pt -132.75 166.17 30.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.508 -0.552 . . . . 10.0 109.508 178.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.489 ' O ' ' HA ' ' A' ' 66' ' ' THR . 43.1 m-85 -120.87 131.41 54.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.562 0.22 . . . . 10.0 110.565 -179.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 63.2 t -115.83 124.33 72.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.97 -0.382 . . . . 10.0 109.97 179.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.1 tttp -104.27 129.59 52.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.99 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.71 167.36 11.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.093 -0.503 . . . . 10.0 109.99 179.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.9 mt -60.36 -27.6 67.52 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 111.847 0.314 . . . . 10.0 111.847 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.6 p -77.01 -14.28 59.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.95 0.405 . . . . 10.0 111.563 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.44 -9.84 42.04 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.925 -0.655 . . . . 10.0 111.712 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -62.69 139.9 58.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.676 0.274 . . . . 10.0 110.846 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -120.83 117.85 28.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.519 -0.309 . . . . 10.0 110.296 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mp -108.54 134.43 50.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.585 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.97 137.26 32.5 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.789 -0.449 . . . . 10.0 109.789 179.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.8 mt -133.74 142.8 48.11 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.994 0.426 . . . . 10.0 111.52 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -98.33 112.41 24.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.628 -0.714 . . . . 10.0 109.263 178.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.6 m -138.05 -175.56 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.912 -0.585 . . . . 10.0 109.852 -179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.483 ' O ' HD11 ' A' ' 56' ' ' LEU . 7.2 mm-40 -139.55 154.04 71.04 Favored Pre-proline 0 C--N 1.316 -0.864 0 N-CA-C 108.754 -0.832 . . . . 10.0 108.754 178.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.0 -29.96 56.98 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.01 1.807 . . . . 10.0 112.338 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 p -83.57 -0.34 49.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.849 -0.614 . . . . 10.0 112.158 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -76.5 142.46 40.9 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.018 0.437 . . . . 10.0 110.571 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.21 146.66 28.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.55 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.573 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 46.3 mm -56.81 -42.58 78.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.859 0.361 . . . . 10.0 110.298 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -62.1 -35.8 79.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.896 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -67.28 -32.8 74.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.05 0.452 . . . . 10.0 109.795 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.8 t -69.78 -34.94 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.403 178.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 10.3 mmmm -59.66 -39.35 84.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.609 179.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.9 -33.48 75.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.511 -0.768 . . . . 10.0 110.605 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -70.51 -40.89 73.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.815 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.4 mt -67.66 -39.4 82.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.932 -0.576 . . . . 10.0 109.604 178.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -62.41 -36.0 80.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.584 -0.735 . . . . 10.0 111.214 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.1 -33.41 75.95 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.479 -0.328 . . . . 10.0 111.66 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -92.67 -55.29 3.43 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.163 0.431 . . . . 10.0 112.163 -178.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -72.26 -32.25 66.5 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.441 0.534 . . . . 10.0 112.441 -178.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.63 9.84 84.13 Favored Glycine 0 C--O 1.229 -0.188 0 C-N-CA 120.482 -0.866 . . . . 10.0 111.362 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.4 mt -95.1 128.27 39.53 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.51 -0.345 . . . . 10.0 110.252 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.17 145.59 53.45 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.679 2.253 . . . . 10.0 112.357 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.41 -22.64 59.61 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.038 2.492 . . . . 10.0 112.585 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -70.19 -31.02 68.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.727 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -89.56 -8.86 51.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.899 -0.591 . . . . 10.0 111.329 -179.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -88.41 105.54 17.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.389 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -105.22 98.25 7.98 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.198 -0.667 . . . . 10.0 109.198 178.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.7 mt -84.12 131.45 34.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.829 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 83.4 mt -132.24 135.04 58.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.666 -0.697 . . . . 10.0 109.977 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -138.38 126.09 22.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.334 -0.394 . . . . 10.0 109.954 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.01 26.89 16.24 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.489 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.55 -2.88 87.83 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 116.012 -0.54 . . . . 10.0 112.65 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -103.61 138.7 39.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.77 0.319 . . . . 10.0 110.588 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -78.72 133.09 37.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.21 -0.45 . . . . 10.0 109.811 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.6 mt -88.85 119.13 29.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.993 0.425 . . . . 10.0 111.209 -179.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.69 136.81 36.25 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.331 179.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.3 -33.27 67.51 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.519 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.48 48.41 3.56 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.98 -0.628 . . . . 10.0 112.892 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.9 mmt-85 -144.42 170.61 15.69 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.7 p -113.81 167.6 10.5 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.91 -0.404 . . . . 10.0 109.91 178.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.483 HD11 ' O ' ' A' ' 18' ' ' GLU . 57.1 mt -64.58 -33.64 76.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.045 0.45 . . . . 10.0 110.412 179.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -27.7 69.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.645 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -65.82 -38.71 89.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.722 -178.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -96.77 9.5 41.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.536 -0.302 . . . . 10.0 111.102 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 61.0 36.21 18.69 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.794 0.684 . . . . 10.0 110.899 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 83.3 mt -78.69 107.1 10.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.175 0.512 . . . . 10.0 110.283 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -86.87 -175.01 5.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.464 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -76.5 153.5 35.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.739 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 60.34 32.54 20.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.762 -0.654 . . . . 10.0 112.189 179.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.6 m -95.42 144.13 26.19 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.966 -0.383 . . . . 10.0 109.966 178.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.489 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 53.4 m -98.33 121.44 40.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.972 0.415 . . . . 10.0 110.868 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.0 mp -104.85 149.14 25.92 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.188 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -98.35 134.93 40.67 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.144 -0.317 . . . . 10.0 110.144 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.3 tp -119.64 109.41 15.64 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.992 0.425 . . . . 10.0 110.688 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 15.5 t -100.1 143.05 14.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.028 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.5 mt . . . . . 0 C--N 1.325 -0.477 0 N-CA-C 110.139 -0.319 . . . . 10.0 110.139 179.846 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 110.136 -0.32 . . . . 10.0 110.136 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -114.75 137.41 51.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.632 0.253 . . . . 10.0 111.017 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 25.2 pt -127.29 161.75 33.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.425 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -113.28 125.91 54.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 43.0 t -110.81 122.33 65.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.436 ' HD3' ' SD ' ' D' ' 467' ' ' MET . 19.0 tttp -104.69 144.01 32.3 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.861 -179.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.2 p -119.1 169.08 10.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.694 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 60.9 mt -65.4 -22.02 66.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.825 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.6 p -80.25 -10.32 59.75 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.974 0.416 . . . . 10.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.79 -6.6 62.6 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.045 -0.597 . . . . 10.0 112.305 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -69.15 126.84 31.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.888 0.375 . . . . 10.0 110.835 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.86 110.66 22.49 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.749 179.29 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.4 mt -104.51 142.01 18.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.497 -0.32 . . . . 10.0 111.083 -178.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -106.75 129.25 54.66 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 178.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 94.4 mt -126.8 142.28 51.59 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.172 0.51 . . . . 10.0 111.98 -178.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -85.25 115.15 22.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.303 -0.862 . . . . 10.0 109.786 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 17.1 m -135.46 176.13 9.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.35 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 6.6 mm-40 -138.84 162.35 53.21 Favored Pre-proline 0 C--N 1.316 -0.856 0 N-CA-C 108.923 -0.769 . . . . 10.0 108.923 179.077 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . 0.509 ' O ' ' HB ' ' B' ' 55' ' ' THR . 50.5 Cg_exo -54.43 -35.87 86.15 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.084 1.856 . . . . 10.0 112.552 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.88 -7.53 58.02 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.339 0.496 . . . . 10.0 112.339 -179.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.446 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.8 OUTLIER -66.29 122.67 18.02 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 110.07 -0.345 . . . . 10.0 110.07 -179.546 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.8 143.72 41.74 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.043 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 48.3 mm -52.88 -36.71 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 O-C-N 123.291 0.37 . . . . 10.0 111.365 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -62.68 -43.81 97.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.966 0.412 . . . . 10.0 110.672 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.459 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 63.2 t30 -63.46 -36.04 82.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.61 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 41.5 t -61.5 -41.85 91.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.066 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -66.8 -32.3 73.49 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.33 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.96 -35.21 80.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.257 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 26.7 mttt -66.52 -38.16 86.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.703 178.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 62.4 mt -69.14 -33.48 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.587 -0.733 . . . . 10.0 109.949 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -66.84 -31.93 72.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.878 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -82.34 -38.76 23.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.797 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -73.0 -53.63 10.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.88 -0.6 . . . . 10.0 112.425 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -93.65 -46.9 7.05 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.765 0.283 . . . . 10.0 111.765 -178.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.33 -3.13 25.16 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.529 -0.843 . . . . 10.0 111.906 -179.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 64.1 mt -72.36 127.34 90.31 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.636 -0.282 . . . . 10.0 110.272 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -57.91 141.97 96.25 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.537 2.158 . . . . 10.0 112.001 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -59.82 -26.33 81.93 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.389 2.06 . . . . 10.0 111.997 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -66.17 -19.74 65.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.544 -0.753 . . . . 10.0 111.395 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -108.36 11.6 26.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.881 0.372 . . . . 10.0 110.759 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -106.93 106.55 17.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.337 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.403 ' O ' ' HB ' ' B' ' 70' ' ' VAL . 53.4 mtp180 -108.54 100.14 9.44 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.956 -0.757 . . . . 10.0 108.956 178.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 15.9 mt -79.35 121.74 25.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.054 0.454 . . . . 10.0 111.461 -178.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -117.83 133.34 64.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.452 -0.794 . . . . 10.0 110.202 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.508 ' O ' ' HG2' ' B' ' 48' ' ' LYS . 81.8 t80 -132.45 120.74 22.36 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.11 -0.7 . . . . 10.0 109.11 178.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.25 16.48 10.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.766 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.16 -3.59 55.12 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 120.814 -0.707 . . . . 10.0 113.604 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' B' ' 45' ' ' PHE . 9.9 ptmt -117.26 156.37 27.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 117.185 0.492 . . . . 10.0 110.849 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -86.63 146.38 26.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.709 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 19.7 mt -97.62 132.88 42.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.364 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.468 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 36.1 mt-10 -81.91 149.88 28.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.115 179.513 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.14 -35.37 80.3 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.037 0.384 . . . . 10.0 112.037 -178.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.71 28.89 3.42 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 120.916 -0.659 . . . . 10.0 113.512 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.468 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 16.4 mmt180 -128.16 164.72 21.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 117.165 0.483 . . . . 10.0 110.143 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.509 ' HB ' ' O ' ' B' ' 19' ' ' PRO . 11.9 p -111.36 169.59 8.69 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.048 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 21.7 mt -67.25 -33.85 76.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.921 0.391 . . . . 10.0 111.261 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -22.04 63.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.403 -0.362 . . . . 10.0 111.27 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -63.45 -45.47 90.71 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 121.009 0.433 . . . . 10.0 110.957 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -87.28 15.31 6.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.38 -179.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 t30 59.84 40.19 19.65 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.379 0.609 . . . . 10.0 110.921 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 61.9 mt -93.24 128.49 44.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.771 -0.65 . . . . 10.0 110.031 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -118.65 -164.69 1.05 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.3 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -73.03 156.92 38.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.685 -0.234 . . . . 10.0 110.756 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 68.5 9.94 7.58 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.75 0.657 . . . . 10.0 112.119 178.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 14.8 m -82.77 147.73 28.24 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.304 -0.258 . . . . 10.0 110.304 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.0 m -106.15 128.66 54.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.47 -0.332 . . . . 10.0 111.159 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -108.16 135.62 49.19 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.822 -0.626 . . . . 10.0 109.468 179.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.466 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 33.5 m80 -89.96 113.66 25.35 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.872 -179.426 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 49.0 tp -91.18 90.92 8.0 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.693 -0.484 . . . . 10.0 109.693 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.44 ' CG1' ' HB ' ' D' ' 490' ' ' THR . 25.2 t -76.37 113.35 15.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.035 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 51.5 mt -81.96 138.59 34.92 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.888 -0.782 . . . . 10.0 108.888 178.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.318 -0.763 0 CA-C-O 121.033 0.444 . . . . 10.0 111.349 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 121.015 0.436 . . . . 10.0 110.888 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -67.79 -36.68 80.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.679 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 70.9 mt -66.18 -40.79 90.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.463 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -61.55 -48.43 81.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.627 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.74 -44.18 94.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.692 -0.686 . . . . 10.0 111.263 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 56.8 mtm -64.59 -34.65 78.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.969 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.87 -38.79 92.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.948 0.404 . . . . 10.0 110.108 179.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -62.03 -37.69 85.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.94 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -58.74 -45.71 89.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.521 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 40.7 mt -72.34 -32.08 41.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.72 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 50.8 tp60 -60.83 -36.01 77.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.007 0.432 . . . . 10.0 110.782 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -81.31 -7.69 59.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.718 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 467' ' ' MET . . . . . 0.466 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 86.3 mmm -99.22 -32.47 11.2 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.311 0.577 . . . . 10.0 110.174 179.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 468' ' ' PHE . . . . . 0.431 ' O ' HG13 ' D' ' 471' ' ' VAL . 2.3 m-85 -129.11 84.93 61.26 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.948 -0.569 . . . . 10.0 109.982 179.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.06 37.29 0.58 Allowed 'Trans proline' 0 CA--C 1.531 0.332 0 C-N-CA 122.584 2.189 . . . . 10.0 113.194 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -140.37 12.53 2.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.929 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 471' ' ' VAL . . . . . 0.431 HG13 ' O ' ' D' ' 468' ' ' PHE . 9.4 p -125.04 133.81 25.15 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.51 -0.313 . . . . 10.0 110.43 -179.545 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 472' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.53 136.4 67.15 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.785 2.323 . . . . 10.0 112.406 179.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -55.59 -42.61 75.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.844 -0.616 . . . . 10.0 112.294 -178.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 34.8 p-80 -66.06 -27.99 68.5 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.133 -0.227 . . . . 10.0 111.584 -179.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 14.2 mt -74.88 -34.99 62.3 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.803 -0.443 . . . . 10.0 109.803 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 48.2 t -67.86 -43.01 86.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.389 0.614 . . . . 10.0 109.665 178.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . 0.45 ' O ' ' HG3' ' D' ' 481' ' ' GLN . 9.4 mt -62.38 -26.58 68.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.337 -0.847 . . . . 10.0 111.03 179.522 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -67.46 -48.7 66.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.403 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -63.75 -38.07 89.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.464 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -59.63 -19.7 50.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.739 -0.664 . . . . 10.0 112.116 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 481' ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' D' ' 477' ' ' LEU . 74.9 mt-30 -86.8 -18.94 29.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.52 0.2 . . . . 10.0 110.967 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -102.68 -45.94 4.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.515 -0.311 . . . . 10.0 111.375 -179.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 65.3 p -85.48 -49.91 7.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.72 0.295 . . . . 10.0 111.07 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 33.2 mtt180 68.56 19.03 8.8 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.271 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 2.7 m -141.14 116.37 10.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.555 -0.748 . . . . 10.0 109.58 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 16.9 m -58.73 -28.87 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 112.273 0.471 . . . . 10.0 112.273 -178.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -66.1 -19.36 65.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.329 . . . . 10.0 111.742 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 23.0 mt -95.53 -38.56 8.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.668 0.271 . . . . 10.0 110.57 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 6.8 m -57.68 -41.31 81.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.914 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 490' ' ' THR . . . . . 0.44 ' HB ' ' CG1' ' B' ' 70' ' ' VAL . 0.2 OUTLIER -59.82 -50.0 75.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.877 0.37 . . . . 10.0 111.34 -179.861 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 491' ' ' ASP . . . . . 0.558 ' O ' ' HG2' ' D' ' 495' ' ' GLU . 2.6 t70 -66.2 -39.79 89.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.82 -0.627 . . . . 10.0 109.994 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -54.23 -41.41 68.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.5 -0.773 . . . . 10.0 111.437 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 98.3 mt -66.85 -44.36 89.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.294 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 1.9 mt -66.17 -37.6 86.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.394 -0.367 . . . . 10.0 111.671 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 495' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' D' ' 491' ' ' ASP . 40.3 mm-40 -70.74 -59.23 2.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.906 0.384 . . . . 10.0 110.753 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 145.28 26.1 0.1 Allowed Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.274 -0.965 . . . . 10.0 112.979 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -76.79 -39.23 52.21 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 39.4 mt -107.87 109.74 29.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.288 179.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.354 -179.142 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.451 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 22.2 ptt? . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 109.996 -0.372 . . . . 10.0 109.996 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -101.82 138.31 38.96 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.913 0.387 . . . . 10.0 111.998 -178.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.1 pt -123.7 161.35 26.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.017 -0.734 . . . . 10.0 109.017 178.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.455 ' O ' ' HA ' ' A' ' 66' ' ' THR . 95.3 m-85 -117.93 113.03 21.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.983 0.42 . . . . 10.0 111.282 -178.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.2 t -103.74 122.62 56.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.756 -0.461 . . . . 10.0 109.756 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -101.6 131.69 47.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.066 0.46 . . . . 10.0 111.599 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.2 164.54 14.93 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.892 179.209 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.4 mt -63.74 -26.61 68.73 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.902 0.334 . . . . 10.0 111.902 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.55 -13.41 60.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.732 0.301 . . . . 10.0 111.602 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.09 -7.83 35.57 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.845 -0.693 . . . . 10.0 112.242 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -69.28 148.2 50.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.854 0.359 . . . . 10.0 111.042 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -119.35 129.87 55.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.154 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.4 mt -113.12 134.66 55.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.995 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.77 125.27 45.65 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.394 179.228 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.6 mt -123.72 139.79 53.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.992 0.425 . . . . 10.0 111.405 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -97.48 103.14 15.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.476 -0.784 . . . . 10.0 108.986 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.451 ' O ' ' HG2' ' A' ' 1' ' ' MET . 15.6 m -132.27 174.63 12.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.358 -178.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.468 ' O ' HD11 ' A' ' 56' ' ' LEU . 74.4 mm-40 -128.78 156.12 78.2 Favored Pre-proline 0 C--N 1.32 -0.696 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 179.123 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -49.86 -38.28 47.39 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 122.804 2.336 . . . . 10.0 113.684 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 m -83.4 12.42 5.52 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.443 0.534 . . . . 10.0 112.443 -179.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -81.4 142.24 33.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.9 0.381 . . . . 10.0 110.309 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.29 144.08 30.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.944 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.6 mm -58.7 -41.57 82.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.795 0.331 . . . . 10.0 110.439 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -58.35 -36.84 74.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.428 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.471 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 64.9 t30 -68.01 -38.73 82.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.992 179.505 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.0 t -63.37 -41.19 91.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.941 179.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -60.15 -39.94 88.12 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.065 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.18 -37.83 88.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.573 -0.74 . . . . 10.0 110.582 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 86.0 mttt -64.94 -34.96 79.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.34 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 79.6 mt -70.1 -39.46 77.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 116.152 -0.476 . . . . 10.0 109.981 178.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -63.57 -41.06 98.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.647 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -64.1 -26.67 68.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.359 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -91.84 -61.52 1.61 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.708 0.632 . . . . 10.0 112.708 -179.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -86.34 -22.27 26.79 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.442 0.904 . . . . 10.0 113.442 -177.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.57 46.26 7.45 Favored Glycine 0 C--N 1.324 -0.123 0 C-N-CA 120.455 -0.878 . . . . 10.0 112.244 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.0 mt -118.96 123.96 28.61 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 110.208 -0.293 . . . . 10.0 110.208 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -49.75 131.0 28.13 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.885 2.39 . . . . 10.0 112.175 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.94 -37.73 85.92 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.099 2.533 . . . . 10.0 112.919 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.37 -15.03 63.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.999 0.428 . . . . 10.0 111.48 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -100.27 -4.03 30.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.076 -179.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -91.72 132.34 36.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.179 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -122.32 96.18 4.94 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 178.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 69.9 mt -87.62 117.38 26.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.699 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mp -119.07 132.3 69.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.381 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -129.42 119.61 24.11 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.721 -0.672 . . . . 10.0 109.436 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.95 36.08 12.87 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.307 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.2 0.02 85.08 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.998 -0.62 . . . . 10.0 113.686 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -118.15 135.89 53.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 117.325 0.563 . . . . 10.0 110.872 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -76.7 144.77 39.14 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.0 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 44.9 mt -91.32 136.51 33.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.299 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -82.92 134.53 35.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.137 -0.483 . . . . 10.0 109.863 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -59.34 -37.69 78.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.949 -178.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.1 22.29 6.16 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 121.226 -0.511 . . . . 10.0 113.382 -178.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 55.5 mmt-85 -124.41 169.85 11.43 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.075 0.437 . . . . 10.0 110.647 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.1 p -110.25 172.88 6.6 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.779 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.468 HD11 ' O ' ' A' ' 18' ' ' GLU . 90.3 mt -67.43 -32.52 73.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.067 0.46 . . . . 10.0 110.279 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.51 -22.95 65.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.734 -0.666 . . . . 10.0 111.173 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -66.02 -27.18 67.92 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.428 -179.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -112.5 10.42 19.67 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.22 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.7 t30 56.54 37.69 29.02 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.371 -0.831 . . . . 10.0 111.363 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 72.7 mt -74.72 116.85 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.07 -0.514 . . . . 10.0 109.734 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -97.17 -169.82 1.92 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.704 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -79.86 151.44 30.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.684 0.278 . . . . 10.0 111.38 -179.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 67.5 23.37 9.01 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.305 -0.861 . . . . 10.0 111.88 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.3 m -86.77 142.81 27.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.059 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 2.9 m -96.06 126.19 41.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.404 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -114.62 143.98 44.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.69 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -97.34 126.8 42.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.721 0.296 . . . . 10.0 110.648 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.8 tp -107.95 101.41 10.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.367 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.4 t -96.18 141.2 15.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.109 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 92.2 mt . . . . . 0 C--N 1.325 -0.467 0 CA-C-O 121.03 0.443 . . . . 10.0 111.006 -179.633 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.423 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 26.2 ptt? . . . . . 0 N--CA 1.483 1.2 0 N-CA-C 110.246 -0.279 . . . . 10.0 110.246 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -110.72 141.9 43.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.841 0.353 . . . . 10.0 110.624 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 24.8 pt -129.51 151.98 36.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.136 -0.483 . . . . 10.0 109.938 178.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -107.49 112.31 25.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.442 -0.344 . . . . 10.0 110.727 -179.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.7 t -101.17 121.08 51.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -106.5 141.61 37.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.751 0.31 . . . . 10.0 111.289 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.1 p -111.81 167.67 10.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.666 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.444 ' CD1' ' HA ' ' D' ' 487' ' ' GLU . 46.8 mt -70.12 -14.91 62.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.094 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.67 -12.89 59.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.227 0.537 . . . . 10.0 110.564 179.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.86 5.13 58.67 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.778 -0.646 . . . . 10.0 112.32 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -88.04 139.38 30.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.81 0.338 . . . . 10.0 110.868 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.3 m -115.03 118.99 34.97 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 mp -105.7 128.84 59.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.856 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.52 109.86 21.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.18 179.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.6 mt -103.46 156.07 18.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.107 0.479 . . . . 10.0 111.598 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -109.2 109.45 20.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.389 -0.823 . . . . 10.0 109.794 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.423 ' O ' ' HG2' ' B' ' 1' ' ' MET . 16.7 m -138.97 174.08 10.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.624 -179.455 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.507 ' O ' HD12 ' B' ' 56' ' ' LEU . 70.3 mm-40 -124.27 158.36 61.33 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 109.674 -0.491 . . . . 10.0 109.674 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -57.75 -22.38 52.78 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.281 1.987 . . . . 10.0 112.947 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -93.73 8.41 41.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.915 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -78.61 157.5 28.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.889 0.376 . . . . 10.0 110.342 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.5 145.9 29.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.496 -179.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.6 mm -54.91 -43.51 68.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.266 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -58.12 -35.09 70.96 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 121.051 0.453 . . . . 10.0 111.073 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -72.23 -38.24 68.99 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.703 -0.48 . . . . 10.0 109.703 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.4 t -62.81 -40.14 87.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.601 178.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -59.87 -39.63 85.92 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.855 178.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.42 -37.22 82.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.62 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.98 -38.0 87.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.177 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 79.0 mt -70.18 -32.06 49.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-O 121.333 0.587 . . . . 10.0 109.734 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -62.14 -40.64 96.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.541 -0.754 . . . . 10.0 110.899 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -74.36 -19.43 60.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.126 0.489 . . . . 10.0 110.876 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -84.1 -60.62 2.04 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.709 0.633 . . . . 10.0 112.709 -178.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -96.23 -15.66 21.87 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.604 0.594 . . . . 10.0 112.604 -177.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.96 31.5 53.03 Favored Glycine 0 C--O 1.229 -0.168 0 C-N-CA 120.623 -0.799 . . . . 10.0 112.253 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.6 mt -109.48 125.88 30.4 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 110.365 -0.235 . . . . 10.0 110.365 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.22 140.97 71.48 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.704 2.269 . . . . 10.0 112.278 179.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.09 -23.27 60.15 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.847 2.365 . . . . 10.0 112.787 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -70.27 -13.82 62.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.051 0.453 . . . . 10.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -107.94 -0.98 21.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.585 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -96.48 104.61 16.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.93 -178.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 35.0 mtp180 -104.77 97.27 7.18 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.871 -0.789 . . . . 10.0 108.871 177.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 41.6 mt -81.41 121.68 26.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.408 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -119.47 125.15 74.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.266 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.513 ' O ' ' HE3' ' B' ' 48' ' ' LYS . 77.2 t80 -110.21 106.6 16.09 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.688 -0.486 . . . . 10.0 109.688 178.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.52 44.02 21.81 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.912 -0.585 . . . . 10.0 112.193 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.01 8.07 84.54 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.846 -0.693 . . . . 10.0 113.974 178.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.513 ' HE3' ' O ' ' B' ' 45' ' ' PHE . 25.1 mtmt -124.2 124.52 42.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 117.304 0.552 . . . . 10.0 110.576 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.26 139.23 46.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.943 0.401 . . . . 10.0 110.344 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.412 HD21 ' HB3' ' B' ' 45' ' ' PHE . 17.3 mt -98.39 145.32 26.84 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.631 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.461 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 27.1 mt-10 -94.34 154.24 17.59 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -64.39 -44.25 91.92 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.102 0.408 . . . . 10.0 112.102 -178.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.17 47.91 3.81 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.97 -0.633 . . . . 10.0 112.951 -179.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.461 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 28.5 mmt180 -135.61 152.69 51.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 10.0 110.458 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.567 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 0.2 OUTLIER -94.45 157.84 15.83 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 178.899 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.507 HD12 ' O ' ' B' ' 18' ' ' GLU . 79.1 mt -63.51 -32.95 74.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.336 0.589 . . . . 10.0 110.046 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.95 -13.7 61.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.655 -0.702 . . . . 10.0 111.223 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.567 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.5 m-20 -67.01 -28.03 67.91 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.946 0.403 . . . . 10.0 110.703 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -111.26 12.67 21.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.994 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 62.7 t30 61.31 35.25 18.16 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.438 -0.801 . . . . 10.0 111.016 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.6 mt -78.02 104.53 6.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.006 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -91.02 -162.04 0.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.454 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.06 153.43 28.79 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.018 -0.364 . . . . 10.0 110.018 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 65.53 33.6 8.54 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.616 0.572 . . . . 10.0 110.891 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 71.2 m -90.17 152.14 21.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.263 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.59 124.79 51.03 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.517 -179.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -117.05 131.5 56.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.642 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.475 ' HD2' ' SD ' ' D' ' 467' ' ' MET . 53.7 m80 -92.42 118.32 30.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.002 -0.545 . . . . 10.0 109.605 179.411 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 54.9 tp -98.97 104.25 16.27 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.118 0.485 . . . . 10.0 110.657 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 94.0 t -90.3 108.61 19.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.949 -0.568 . . . . 10.0 109.954 179.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 86.2 mt -83.93 112.0 19.76 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.465 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.321 -0.639 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.123 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.53 0.19 0 CA-C-O 120.848 0.356 . . . . 10.0 111.536 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -76.69 -37.9 55.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.86 0.362 . . . . 10.0 110.987 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.56 -45.64 92.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.187 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -61.47 -41.8 97.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 10.0 110.913 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.63 -44.14 97.04 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.913 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 62.6 mtm -69.58 -37.77 77.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.754 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.24 -41.84 96.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.704 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -64.11 -33.01 74.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.33 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -62.71 -40.06 95.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.011 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 92.7 mt -72.38 -32.82 43.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.099 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -61.16 -32.76 72.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.753 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -74.4 -17.99 60.73 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 116.244 -0.434 . . . . 10.0 111.028 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 467' ' ' MET . . . . . 0.475 ' SD ' ' HD2' ' B' ' 68' ' ' HIS . 67.3 mmm -95.67 -42.06 8.58 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.986 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 468' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -132.5 97.97 17.11 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.101 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -86.35 17.69 1.71 Allowed 'Trans proline' 0 CA--C 1.532 0.393 0 C-N-CA 122.496 2.131 . . . . 10.0 112.465 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -103.11 -1.17 29.55 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.864 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 471' ' ' VAL . . . . . . . . . . . . . 7.7 p -114.33 128.23 26.03 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.328 -0.396 . . . . 10.0 110.575 -179.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 472' ' ' PRO . . . . . 0.427 ' O ' HG23 ' D' ' 476' ' ' VAL . 32.1 Cg_exo -58.43 138.56 86.49 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.824 2.35 . . . . 10.0 112.508 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -54.44 -41.33 69.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.671 -0.695 . . . . 10.0 112.482 -178.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 37.8 p-80 -66.15 -30.25 70.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.633 0.254 . . . . 10.0 111.427 -178.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 22.7 mt -76.75 -35.91 57.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.657 0.265 . . . . 10.0 110.594 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 476' ' ' VAL . . . . . 0.427 HG23 ' O ' ' D' ' 472' ' ' PRO . 40.8 t -62.56 -40.9 89.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.314 0.578 . . . . 10.0 109.551 178.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . 0.454 ' O ' ' HG3' ' D' ' 481' ' ' GLN . 51.2 mt -65.85 -30.52 71.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.379 -0.828 . . . . 10.0 110.969 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -63.38 -54.11 41.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.376 -0.375 . . . . 10.0 110.916 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -65.2 -34.65 78.88 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.817 0.342 . . . . 10.0 110.297 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.94 -28.34 66.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.122 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 481' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' D' ' 477' ' ' LEU . 58.3 mt-30 -82.81 -25.86 32.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.104 0.478 . . . . 10.0 110.338 179.201 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -83.58 -56.63 3.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.674 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 483' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' D' ' 484' ' ' ARG . 61.9 p -87.61 -43.78 11.72 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.272 0.471 . . . . 10.0 112.272 -178.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 484' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' D' ' 483' ' ' THR . 8.9 mtm180 69.18 42.16 1.27 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.195 0.521 . . . . 10.0 110.789 -179.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 12.3 t -159.13 117.91 2.93 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.754 -0.657 . . . . 10.0 109.633 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 8.1 m -57.01 -37.59 55.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.66 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 487' ' ' GLU . . . . . 0.444 ' HA ' ' CD1' ' B' ' 8' ' ' LEU . 4.4 mp0 -61.42 -43.65 98.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.794 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 39.7 mt -74.14 -44.41 49.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.843 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 489' ' ' THR . . . . . 0.402 ' O ' HG13 ' D' ' 493' ' ' ILE . 95.7 m -57.13 -49.91 74.45 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.361 0.504 . . . . 10.0 112.361 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 4.8 m -60.34 -43.76 96.14 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.192 -0.203 . . . . 10.0 111.42 -179.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -68.68 -37.8 79.88 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.01 0.433 . . . . 10.0 109.912 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.6 -40.72 75.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.508 -0.769 . . . . 10.0 110.151 178.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 493' ' ' ILE . . . . . 0.402 HG13 ' O ' ' D' ' 489' ' ' THR . 76.9 mt -66.52 -42.28 89.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.848 178.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.63 -34.23 77.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.97 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -81.26 -3.82 53.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 10.0 111.401 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 79.37 29.27 50.22 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.926 -0.654 . . . . 10.0 113.787 179.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -76.31 -27.34 56.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.383 0.611 . . . . 10.0 109.548 178.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 4.5 mp -108.62 130.81 60.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.4 -0.818 . . . . 10.0 109.275 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 . . . . . 0 C--O 1.233 0.22 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.988 -179.906 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.416 ' HB2' ' HB3' ' A' ' 63' ' ' LYS . 26.9 ptt? . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 109.99 -0.374 . . . . 10.0 109.99 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -91.33 134.9 34.21 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.169 0.509 . . . . 10.0 111.124 -179.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.3 pt -124.24 164.52 22.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.735 -0.666 . . . . 10.0 109.723 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.461 ' O ' ' HA ' ' A' ' 66' ' ' THR . 70.7 m-85 -114.6 131.45 56.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.941 0.401 . . . . 10.0 110.901 -179.367 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.9 t -114.62 127.54 72.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.915 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -98.58 132.77 43.73 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.294 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.2 p -108.32 165.6 11.38 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 110.081 -0.34 . . . . 10.0 110.081 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.4 mt -69.4 -10.36 57.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.819 0.342 . . . . 10.0 111.023 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.66 -3.45 52.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.172 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.87 15.92 69.04 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.801 -0.714 . . . . 10.0 112.54 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.437 ' HZ3' ' CD ' ' A' ' 34' ' ' GLU . 79.3 tttt -95.66 121.25 37.16 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.102 -0.333 . . . . 10.0 110.102 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 m -93.77 116.65 29.14 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.103 0.478 . . . . 10.0 110.33 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.9 mt -104.08 138.02 30.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.983 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.46 132.54 50.6 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.019 -0.734 . . . . 10.0 109.019 178.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.4 mt -136.76 147.67 46.81 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.378 0.51 . . . . 10.0 112.378 -178.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -93.47 115.8 28.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.391 -0.822 . . . . 10.0 109.597 179.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.3 m -135.47 172.39 15.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.135 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.428 ' O ' HD11 ' A' ' 56' ' ' LEU . 65.7 mm-40 -129.38 160.78 62.48 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 109.968 -0.382 . . . . 10.0 109.968 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -58.17 -32.03 94.75 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.432 2.088 . . . . 10.0 112.232 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.11 20.29 8.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.403 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -87.46 138.31 31.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.789 0.328 . . . . 10.0 110.274 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.41 ' O ' HG22 ' A' ' 26' ' ' VAL . 2.1 m -86.6 142.91 27.93 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.546 -179.512 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.2 mm -56.19 -39.2 57.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.1 0.476 . . . . 10.0 110.44 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -62.46 -30.35 71.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.644 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -77.36 -42.07 37.91 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.616 -0.513 . . . . 10.0 109.616 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 22' ' ' THR . 40.7 t -62.32 -36.44 74.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.695 178.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -60.07 -40.17 88.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.241 -0.89 . . . . 10.0 110.266 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.99 -31.0 70.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.403 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -66.57 -38.89 88.04 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.116 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.6 mt -71.0 -36.57 64.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -63.26 -35.61 80.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.414 -0.812 . . . . 10.0 110.512 179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -83.05 -12.24 57.34 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.979 -178.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -100.19 -43.12 6.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.825 0.345 . . . . 10.0 111.494 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.437 ' CD ' ' HZ3' ' A' ' 11' ' ' LYS . 72.0 mm-40 -99.01 -39.84 8.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.72 -179.065 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.86 11.14 38.32 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.552 -0.833 . . . . 10.0 111.652 -178.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.0 mt -85.39 125.33 70.03 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 115.678 -0.261 . . . . 10.0 110.778 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -56.87 143.12 92.4 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 122.78 2.32 . . . . 10.0 112.328 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -55.64 -29.79 72.12 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 123.151 2.567 . . . . 10.0 113.253 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -66.53 -33.51 75.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.51 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -91.82 -0.12 57.51 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.209 -178.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -94.59 101.44 13.32 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.365 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -110.17 100.24 9.18 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.96 -0.755 . . . . 10.0 108.96 178.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.31 134.6 34.11 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.198 0.523 . . . . 10.0 111.716 -178.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -128.2 136.72 59.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.542 -0.754 . . . . 10.0 109.421 179.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -132.16 118.63 19.83 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.934 -0.395 . . . . 10.0 109.934 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.8 21.83 11.9 Favored 'General case' 0 N--CA 1.464 0.236 0 O-C-N 123.556 0.535 . . . . 10.0 112.001 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.42 -28.02 16.78 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.698 -0.763 . . . . 10.0 112.902 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -89.16 142.03 28.0 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.283 -0.266 . . . . 10.0 110.283 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -81.41 136.86 35.72 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.783 0.325 . . . . 10.0 110.741 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.5 mt -85.63 115.21 23.18 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.795 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.527 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 31.0 mt-10 -75.36 148.14 39.5 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -55.69 -52.13 64.93 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.548 0.573 . . . . 10.0 112.548 -178.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.6 48.21 3.93 Favored Glycine 0 CA--C 1.521 0.413 0 C-N-CA 120.847 -0.692 . . . . 10.0 114.006 -178.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.527 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 23.1 mmt180 -133.08 160.61 36.69 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.969 -0.382 . . . . 10.0 109.969 179.19 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.19 154.26 19.97 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 179.397 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.428 HD11 ' O ' ' A' ' 18' ' ' GLU . 84.8 mt -60.15 -30.28 69.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.086 0.469 . . . . 10.0 110.781 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.89 -21.5 62.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.739 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -68.62 -38.12 80.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.967 0.413 . . . . 10.0 111.332 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -94.56 7.07 46.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.266 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.2 t30 61.93 39.43 13.53 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 115.384 -0.825 . . . . 10.0 111.163 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 69.4 mt -85.47 122.88 38.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.025 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -112.48 -167.23 1.16 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.266 -179.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.416 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 55.2 pttt -73.69 154.84 39.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.279 -0.419 . . . . 10.0 109.892 179.105 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 74.56 -16.63 0.53 Allowed 'General case' 0 N--CA 1.473 0.698 0 O-C-N 123.816 0.697 . . . . 10.0 111.975 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.7 m -57.86 141.4 49.29 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.968 0.413 . . . . 10.0 111.038 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.461 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 1.7 m -103.15 119.15 38.34 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.202 -179.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.1 mp -99.94 155.23 17.8 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.639 -0.71 . . . . 10.0 109.588 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -113.53 133.11 55.43 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.778 0.323 . . . . 10.0 110.719 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.7 tp -112.88 111.38 22.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 89.0 t -101.5 132.58 47.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.968 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.7 mt . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.36 -179.956 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.627 0.251 . . . . 10.0 110.601 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -104.17 141.14 36.78 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.775 0.322 . . . . 10.0 110.969 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 20.9 pt -129.01 168.45 22.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.213 -0.449 . . . . 10.0 109.873 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.464 ' O ' ' HA ' ' B' ' 66' ' ' THR . 57.2 m-85 -121.78 117.23 26.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.972 0.415 . . . . 10.0 111.178 -179.328 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -96.35 123.94 48.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.079 -0.509 . . . . 10.0 109.813 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -102.18 129.59 48.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.889 -179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 34.2 p -108.54 157.44 18.46 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.835 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 47.7 mt -68.79 -14.87 63.3 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.075 0.464 . . . . 10.0 111.12 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.7 -9.94 59.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.161 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.83 28.81 20.19 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.755 -0.735 . . . . 10.0 112.239 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -116.18 130.7 56.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.572 0.225 . . . . 10.0 110.534 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.73 130.11 51.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.548 -0.297 . . . . 10.0 110.765 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 19.4 mt -115.13 132.53 64.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.673 -0.24 . . . . 10.0 110.863 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.7 m -104.14 105.6 15.82 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.161 -0.311 . . . . 10.0 110.161 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 93.6 mt -109.83 145.81 36.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.13 -179.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -91.82 122.17 34.11 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 15.0 m -138.47 173.28 12.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.391 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.507 ' O ' HD12 ' B' ' 56' ' ' LEU . 6.8 mm-40 -131.41 155.85 80.92 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 109.178 -0.675 . . . . 10.0 109.178 179.291 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.72 -27.28 60.63 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 122.449 2.099 . . . . 10.0 112.914 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.9 -2.37 58.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.704 -179.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -72.32 143.56 48.63 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.706 0.289 . . . . 10.0 110.359 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.445 ' O ' HG21 ' B' ' 26' ' ' VAL . 0.3 OUTLIER -89.4 147.29 24.12 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.537 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.425 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 42.4 mm -57.2 -40.2 72.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.294 0.568 . . . . 10.0 109.887 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -60.54 -36.29 78.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.249 -0.887 . . . . 10.0 110.763 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -71.51 -36.65 71.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.087 0.47 . . . . 10.0 109.767 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.445 HG21 ' O ' ' B' ' 22' ' ' THR . 47.5 t -62.26 -38.51 81.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.896 -0.593 . . . . 10.0 109.525 178.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' B' ' 23' ' ' ILE . 4.7 mmmm -59.9 -35.89 75.83 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.055 179.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.09 -36.19 81.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.295 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -68.2 -35.99 78.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.268 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.417 HG22 HD11 ' B' ' 69' ' ' LEU . 69.7 mt -69.67 -37.98 75.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 178.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.414 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 58.7 tt0 -69.2 -22.88 63.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.806 178.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -74.36 -28.53 61.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.067 178.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -93.07 -63.65 1.19 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.624 -0.716 . . . . 10.0 111.403 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -77.09 -47.47 20.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.266 -0.424 . . . . 10.0 111.341 -178.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 106.89 -12.56 41.55 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.731 -0.747 . . . . 10.0 112.278 -179.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 31.9 mt -62.55 129.6 92.82 Favored Pre-proline 0 C--N 1.327 -0.378 0 C-N-CA 122.307 0.243 . . . . 10.0 111.108 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -57.09 138.7 87.44 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 122.399 2.066 . . . . 10.0 111.792 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.73 -25.73 77.0 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.013 2.475 . . . . 10.0 112.638 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.32 -41.9 80.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.811 -0.632 . . . . 10.0 111.379 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -94.65 15.51 17.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.615 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -104.26 100.59 10.32 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.669 0.271 . . . . 10.0 111.264 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.426 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 47.4 mtp180 -97.41 112.42 24.26 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.521 -0.918 . . . . 10.0 108.521 178.449 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 46.3 mt -96.9 131.17 43.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.969 0.414 . . . . 10.0 111.903 -178.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mp -123.98 136.82 59.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.02 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -131.79 115.19 15.64 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.96 23.83 12.94 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.378 0.423 . . . . 10.0 111.494 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.18 -13.55 63.15 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.792 -0.718 . . . . 10.0 112.559 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -100.37 129.35 46.33 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.556 0.217 . . . . 10.0 110.452 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.19 139.09 46.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.174 0.512 . . . . 10.0 111.235 -179.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 24.9 mt -94.73 134.72 37.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.891 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -96.2 148.35 22.81 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.769 -0.456 . . . . 10.0 109.769 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -59.91 -44.38 94.32 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.243 0.46 . . . . 10.0 112.243 -178.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.01 48.89 3.63 Favored Glycine 0 CA--C 1.517 0.181 0 C-N-CA 121.212 -0.518 . . . . 10.0 113.5 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.468 ' HG3' ' OH ' ' B' ' 59' ' ' TYR . 16.2 mmt180 -143.66 162.74 35.16 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 179.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.463 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 46.9 p -106.65 163.73 12.66 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.244 -0.65 . . . . 10.0 109.244 178.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.507 HD12 ' O ' ' B' ' 18' ' ' GLU . 83.5 mt -61.63 -33.41 73.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.815 0.34 . . . . 10.0 110.799 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.5 m -69.57 -20.8 63.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 10.0 111.52 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.463 ' HB2' ' O ' ' B' ' 55' ' ' THR . 3.9 m-20 -63.57 -37.76 88.53 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.98 0.419 . . . . 10.0 111.028 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.468 ' OH ' ' HG3' ' B' ' 54' ' ' ARG . 87.2 m-85 -101.87 14.36 32.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.202 -179.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 63.23 23.78 14.01 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.037 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.6 mt -71.11 129.9 34.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.63 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -129.11 -159.2 0.94 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.311 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 5.0 pttt -70.76 153.55 42.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.573 -0.285 . . . . 10.0 110.958 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 64.35 14.9 9.11 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.622 -0.717 . . . . 10.0 112.401 178.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.6 m -76.53 140.83 41.3 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.975 -0.38 . . . . 10.0 109.975 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.464 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 32.1 m -98.52 118.95 36.37 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.095 0.474 . . . . 10.0 111.215 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 mp -101.07 120.44 40.21 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.576 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.527 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 43.4 m80 -86.45 119.54 26.82 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.462 -0.335 . . . . 10.0 110.387 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.417 HD11 HG22 ' B' ' 30' ' ' ILE . 0.5 OUTLIER -95.99 114.13 25.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.87 -179.72 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.426 ' HB ' ' HB2' ' B' ' 42' ' ' ARG . 86.5 t -108.7 131.04 60.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.033 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 96.1 mt -103.73 150.93 23.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.497 -0.32 . . . . 10.0 110.138 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.719 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.455 -0.182 0 CA-C-O 120.964 0.411 . . . . 10.0 110.849 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 -67.93 -34.86 77.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.471 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 74.4 mt -66.56 -45.09 80.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.263 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -64.37 -40.16 95.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.977 0.418 . . . . 10.0 110.476 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.39 -44.1 95.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.063 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 47.8 mtm -69.98 -41.12 74.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.14 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.16 -34.82 78.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.75 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.58 -34.46 72.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.913 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 463' ' ' GLN . . . . . 0.465 ' O ' ' HG2' ' D' ' 467' ' ' MET . 23.5 tp60 -70.3 -39.19 75.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.996 0.427 . . . . 10.0 109.901 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 51.4 mt -66.1 -31.19 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.428 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -64.99 -23.19 67.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.349 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -87.38 -14.29 41.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.285 179.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 467' ' ' MET . . . . . 0.527 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 49.1 mmm -91.85 -37.89 12.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.38 0.61 . . . . 10.0 109.676 179.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 468' ' ' PHE . . . . . 0.476 ' O ' HG13 ' D' ' 471' ' ' VAL . 5.7 m-85 -130.06 95.92 26.94 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.601 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -80.2 26.16 0.58 Allowed 'Trans proline' 0 CA--C 1.53 0.294 0 C-N-CA 122.516 2.144 . . . . 10.0 112.614 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -137.4 21.04 2.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.717 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 471' ' ' VAL . . . . . 0.476 HG13 ' O ' ' D' ' 468' ' ' PHE . 14.1 p -120.03 131.27 24.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.05 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 472' ' ' PRO . . . . . 0.4 ' O ' HG23 ' D' ' 476' ' ' VAL . 32.4 Cg_exo -59.98 121.78 10.36 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.572 2.182 . . . . 10.0 112.405 179.165 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -53.05 -40.13 63.73 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.809 -0.632 . . . . 10.0 112.167 -179.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -68.22 -23.34 64.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.604 0.24 . . . . 10.0 111.638 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 475' ' ' LEU . . . . . 0.499 ' O ' ' HB3' ' D' ' 478' ' ' GLN . 22.6 mt -84.94 -26.77 26.99 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.634 -0.506 . . . . 10.0 109.634 179.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 476' ' ' VAL . . . . . 0.4 HG23 ' O ' ' D' ' 472' ' ' PRO . 53.5 t -68.86 -42.62 82.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 108.912 -0.773 . . . . 10.0 108.912 178.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . 0.461 ' O ' ' HG3' ' D' ' 481' ' ' GLN . 63.1 mt -62.12 -27.9 69.25 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.451 -0.795 . . . . 10.0 110.346 178.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 478' ' ' GLN . . . . . 0.499 ' HB3' ' O ' ' D' ' 475' ' ' LEU . 0.0 OUTLIER -62.37 -52.84 61.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.702 -0.681 . . . . 10.0 111.039 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -65.83 -33.99 77.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.61 -179.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.33 -27.69 67.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.66 179.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 481' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' D' ' 477' ' ' LEU . 58.3 mt-30 -89.79 -3.23 58.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.46 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -107.49 -58.4 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.431 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 82.6 p -87.19 -35.37 18.61 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.488 -0.324 . . . . 10.0 111.443 -179.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? 65.71 21.19 11.59 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.68 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.44 112.77 7.16 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.827 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 16.7 m -52.75 -31.0 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 115.941 -0.572 . . . . 10.0 112.237 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -60.98 -54.26 47.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.037 0.446 . . . . 10.0 110.217 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 22.5 mt -67.55 -34.08 66.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.292 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 489' ' ' THR . . . . . 0.461 ' O ' HG13 ' D' ' 493' ' ' ILE . 87.2 m -60.16 -49.84 76.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.745 -0.661 . . . . 10.0 111.197 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 1.9 m -68.42 -34.73 76.53 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.764 -179.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 491' ' ' ASP . . . . . 0.46 ' O ' ' HG2' ' D' ' 495' ' ' GLU . 18.1 t70 -65.76 -44.16 86.69 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.933 -0.766 . . . . 10.0 108.933 178.271 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -56.23 -36.46 68.5 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.215 -0.902 . . . . 10.0 110.47 178.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 493' ' ' ILE . . . . . 0.461 HG13 ' O ' ' D' ' 489' ' ' THR . 89.9 mt -64.02 -44.45 97.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.036 179.215 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.82 -28.81 67.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.001 0.429 . . . . 10.0 110.566 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 495' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' D' ' 491' ' ' ASP . 33.4 mm-40 -76.68 -20.98 56.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.776 -0.647 . . . . 10.0 111.329 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 95.19 24.56 16.39 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.453 -0.88 . . . . 10.0 112.298 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -71.62 -37.36 70.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.559 0.695 . . . . 10.0 109.32 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 4.1 mp -100.68 122.8 53.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.079 -0.964 . . . . 10.0 109.265 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 . . . . . 0 C--N 1.326 -0.448 0 CA-C-O 120.965 0.412 . . . . 10.0 111.01 -179.76 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.483 1.194 0 N-CA-C 110.334 -0.247 . . . . 10.0 110.334 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -111.7 143.43 42.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.363 -0.38 . . . . 10.0 111.317 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.2 pt -129.96 162.59 37.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 178.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -122.64 116.25 23.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.928 0.394 . . . . 10.0 111.393 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 63.0 t -100.89 121.05 51.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.8 -0.636 . . . . 10.0 110.036 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.7 mttp -98.99 131.96 44.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.868 0.366 . . . . 10.0 110.909 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.8 p -94.78 171.69 8.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.189 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 52.6 mt -65.82 -28.1 68.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.89 0.376 . . . . 10.0 110.811 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.409 HG22 HE21 ' D' ' 465' ' ' GLN . 1.9 m -74.94 -27.88 60.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.94 -0.573 . . . . 10.0 111.131 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.71 -16.27 10.38 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.805 -0.712 . . . . 10.0 111.731 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.499 ' HZ3' ' CD ' ' A' ' 34' ' ' GLU . 69.9 tttt -61.49 127.76 33.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.669 -0.265 . . . . 10.0 110.784 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -106.35 121.73 44.82 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.367 -0.379 . . . . 10.0 110.178 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mt -100.65 133.06 45.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.551 -178.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.22 129.39 38.18 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.894 -0.594 . . . . 10.0 109.569 178.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.3 mt -131.46 133.42 45.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.862 0.363 . . . . 10.0 111.533 -179.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -94.36 108.79 20.68 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.196 -0.668 . . . . 10.0 109.196 178.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.5 m -138.09 172.65 13.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.266 -0.424 . . . . 10.0 110.895 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -124.22 155.57 67.89 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_exo -53.49 -24.83 29.89 Favored 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 122.97 2.447 . . . . 10.0 113.889 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.52 0.08 57.47 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.472 0.545 . . . . 10.0 112.472 -178.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -74.0 143.74 45.44 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.681 -0.408 . . . . 10.0 110.162 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.6 m -84.02 141.01 31.49 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.777 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.4 mm -54.43 -40.83 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.28 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -61.89 -30.08 70.64 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.914 0.388 . . . . 10.0 110.723 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -75.52 -29.51 59.5 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.429 -0.582 . . . . 10.0 109.429 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.0 t -67.7 -39.22 81.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.135 -0.691 . . . . 10.0 109.135 178.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -61.94 -36.24 80.81 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.561 -0.745 . . . . 10.0 109.769 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.22 -37.9 89.05 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.591 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.2 mtmm -66.34 -42.61 87.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.174 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 60.0 mt -66.4 -36.16 76.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.508 0.67 . . . . 10.0 109.63 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -67.81 -29.54 68.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.553 -0.749 . . . . 10.0 110.419 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -81.17 -33.51 33.0 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.494 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -87.61 -47.0 9.04 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.218 0.451 . . . . 10.0 112.218 -179.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.499 ' CD ' ' HZ3' ' A' ' 11' ' ' LYS . 55.9 mm-40 -92.45 -32.95 14.71 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.025 0.38 . . . . 10.0 112.025 -178.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.42 10.66 61.82 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.497 -0.859 . . . . 10.0 112.466 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.4 mt -83.8 126.13 71.47 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 110.471 -0.196 . . . . 10.0 110.471 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -55.95 138.63 82.81 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.856 2.371 . . . . 10.0 112.15 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.8 -32.38 76.55 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.997 2.465 . . . . 10.0 112.969 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.57 -21.63 66.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.951 -179.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -102.35 0.9 34.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.673 0.273 . . . . 10.0 111.18 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -93.73 131.72 38.8 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.067 -179.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 65.4 mtt180 -135.61 102.86 5.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.226 178.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.8 mt -93.57 123.37 36.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.675 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mp -123.17 137.4 56.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.064 -0.517 . . . . 10.0 110.064 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -135.02 114.82 12.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.348 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.97 33.02 10.11 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.782 -0.644 . . . . 10.0 111.368 179.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.33 -7.94 73.53 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.981 -0.628 . . . . 10.0 112.896 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -99.73 128.31 45.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.887 0.375 . . . . 10.0 111.01 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.38 116.75 19.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.872 -0.604 . . . . 10.0 109.376 179.326 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.3 mt -64.23 127.9 33.45 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.008 -178.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.466 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 12.9 mt-10 -83.6 138.51 33.33 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.271 -0.64 . . . . 10.0 109.271 178.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -60.71 -21.0 62.44 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.275 0.472 . . . . 10.0 112.275 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.03 34.94 5.0 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.682 -0.771 . . . . 10.0 113.479 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.466 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 17.4 mmt180 -132.59 174.33 10.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.914 0.357 . . . . 10.0 110.436 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.0 p -112.98 -179.3 3.61 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.079 -0.711 . . . . 10.0 109.079 178.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.8 mt -73.5 -33.24 64.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.982 0.42 . . . . 10.0 110.808 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.4 m -75.07 -10.27 59.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.289 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.18 -31.72 70.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.051 0.453 . . . . 10.0 110.477 179.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -111.88 9.95 20.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.501 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 61.32 50.87 4.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.38 -0.827 . . . . 10.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 73.1 mt -89.95 112.16 24.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.22 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -88.4 -173.47 4.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.706 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 57.3 pttt -76.1 150.99 37.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.478 -0.328 . . . . 10.0 110.936 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 63.52 24.29 13.99 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.617 -0.719 . . . . 10.0 111.94 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.8 m -79.92 153.21 29.13 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.304 -0.258 . . . . 10.0 110.304 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.7 m -97.22 118.0 32.68 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.626 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -106.72 130.49 54.43 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.271 -0.64 . . . . 10.0 109.271 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.5 123.52 36.86 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.551 0.215 . . . . 10.0 110.544 -179.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.3 tp -106.83 109.11 20.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.694 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 63.7 t -98.18 132.05 43.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.171 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.441 179.822 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 120.859 0.362 . . . . 10.0 110.071 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -100.42 133.92 44.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.934 0.397 . . . . 10.0 110.97 -179.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 19.2 pt -119.74 160.44 19.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.092 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -109.27 114.5 28.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.883 0.373 . . . . 10.0 111.057 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 44.0 t -100.06 119.57 48.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.75 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 6.8 mttp -97.53 128.21 44.09 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.952 -179.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 19.1 p -102.8 160.24 14.77 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.065 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 56.1 mt -64.94 -14.66 60.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.0 0.428 . . . . 10.0 111.41 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.25 -16.37 40.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.783 179.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.88 11.23 47.23 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.987 -0.625 . . . . 10.0 112.855 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -93.0 133.34 36.23 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 122.708 -0.29 . . . . 10.0 110.443 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -100.99 115.15 29.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.404 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 7.4 mt -96.29 132.38 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.501 -0.318 . . . . 10.0 110.613 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.77 124.82 46.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.073 179.399 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 67.5 mt -126.94 140.2 52.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.265 -179.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -93.64 103.99 16.12 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.744 -0.836 . . . . 10.0 108.744 178.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 16.9 m -129.39 164.55 31.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.092 -178.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.493 ' O ' HD12 ' B' ' 56' ' ' LEU . 10.9 mm-40 -124.03 157.46 63.64 Favored Pre-proline 0 C--N 1.32 -0.68 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 179.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -55.96 -23.17 41.83 Favored 'Trans proline' 0 CA--C 1.531 0.368 0 C-N-CA 122.408 2.072 . . . . 10.0 112.691 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.95 4.93 46.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.307 -0.406 . . . . 10.0 112.059 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -81.42 153.09 27.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.886 0.374 . . . . 10.0 110.795 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m -99.53 146.96 25.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.737 -178.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.449 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 40.0 mm -56.58 -42.04 75.01 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.118 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -59.62 -35.52 74.52 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.865 0.364 . . . . 10.0 111.133 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -68.88 -35.36 76.79 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.682 -0.488 . . . . 10.0 109.682 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 44.2 t -64.15 -40.62 89.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.491 ' HE3' ' O ' ' B' ' 41' ' ' GLN . 5.5 mmmm -59.43 -44.56 92.88 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.567 -0.742 . . . . 10.0 109.462 178.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.82 -36.2 82.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.287 -0.87 . . . . 10.0 110.932 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -68.03 -42.27 80.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.384 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 73.0 mt -67.21 -34.21 67.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.595 0.712 . . . . 10.0 109.385 178.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -67.08 -34.52 77.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.159 -0.928 . . . . 10.0 110.494 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -79.5 -30.29 41.9 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.918 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 43.3 mttt -82.22 -52.76 6.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.522 -0.308 . . . . 10.0 111.608 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -88.83 -53.69 4.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.856 0.36 . . . . 10.0 111.115 -178.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.23 7.06 10.37 Favored Glycine 0 CA--C 1.517 0.167 0 C-N-CA 120.781 -0.723 . . . . 10.0 112.472 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 21.1 mt -86.81 126.31 63.94 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 122.827 -0.219 . . . . 10.0 110.72 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -57.96 143.7 95.65 Favored 'Trans proline' 0 CA--C 1.532 0.416 0 C-N-CA 122.662 2.241 . . . . 10.0 112.181 179.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -58.89 -24.63 73.44 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.894 2.396 . . . . 10.0 113.396 -179.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.57 -22.84 63.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 10.0 111.362 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -103.21 0.62 31.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.07 0.462 . . . . 10.0 110.404 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.491 ' O ' ' HE3' ' B' ' 27' ' ' LYS . 67.0 mt-30 -94.28 113.9 25.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.747 -0.661 . . . . 10.0 111.172 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.436 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 2.7 ttt180 -113.12 108.47 17.35 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.739 -0.837 . . . . 10.0 108.739 178.057 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 25.0 mt -94.39 126.58 39.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.006 0.432 . . . . 10.0 111.757 -177.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.537 HG23 ' CZ ' ' D' ' 468' ' ' PHE . 1.6 mp -120.87 133.2 68.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.615 -0.72 . . . . 10.0 110.447 179.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -133.05 126.05 30.98 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.055 -0.72 . . . . 10.0 109.055 178.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.96 34.17 16.93 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.288 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.2 24.88 70.05 Favored Glycine 0 CA--C 1.52 0.395 0 CA-C-N 116.061 -0.518 . . . . 10.0 113.779 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 31.6 mtmm -141.45 152.25 44.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.82 0.31 . . . . 10.0 110.399 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.09 135.51 33.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.018 0.437 . . . . 10.0 110.98 -179.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 31.3 mt -91.89 147.69 22.78 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.17 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -99.54 142.55 30.87 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.505 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.2 -21.99 65.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.858 -0.61 . . . . 10.0 112.094 -179.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.03 30.19 7.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 10.0 113.328 -179.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 33.0 mmt-85 -129.62 161.38 30.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 117.004 0.402 . . . . 10.0 110.178 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.06 162.35 13.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.317 179.421 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.493 HD12 ' O ' ' B' ' 18' ' ' GLU . 86.8 mt -63.67 -24.23 67.7 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.808 0.337 . . . . 10.0 111.277 -179.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.89 -33.34 59.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.827 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -60.06 -45.88 91.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.81 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -83.75 -1.29 53.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.065 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 59.39 39.43 22.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.7 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 56.2 mt -72.63 108.63 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.196 -0.456 . . . . 10.0 109.934 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -91.22 -174.61 4.01 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.383 -179.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.99 156.51 36.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.355 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 64.81 12.67 7.9 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 122.921 0.488 . . . . 10.0 111.985 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 18.9 m -81.76 160.57 23.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.799 0.333 . . . . 10.0 110.113 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 2.7 m -117.89 131.41 56.53 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.014 0.435 . . . . 10.0 111.637 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -112.93 131.97 55.52 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.873 -0.788 . . . . 10.0 108.873 178.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -92.84 124.16 36.63 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.723 0.296 . . . . 10.0 110.374 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.4 tp -102.78 107.52 18.41 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.106 0.479 . . . . 10.0 110.159 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.436 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 51.1 t -102.49 140.05 21.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.644 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 79.2 mt -109.52 155.62 21.14 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 179.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.652 0 CA-C-O 120.872 0.368 . . . . 10.0 111.291 -179.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 120.651 0.262 . . . . 10.0 111.695 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -69.51 -36.62 76.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.096 0.474 . . . . 10.0 110.403 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 79.7 mt -65.57 -37.79 87.67 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.996 -0.547 . . . . 10.0 109.96 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -63.4 -41.97 98.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.056 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -66.99 -41.46 86.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.776 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 3.2 mtm -65.51 -41.35 93.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.745 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.38 -42.99 95.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.625 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -61.94 -34.95 77.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.925 -0.579 . . . . 10.0 110.631 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -61.42 -37.16 82.49 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.135 0.493 . . . . 10.0 110.077 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 72.2 mt -75.83 -40.9 39.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.987 -0.551 . . . . 10.0 109.635 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 465' ' ' GLN . . . . . 0.409 HE21 HG22 ' A' ' 9' ' ' THR . 33.5 tp60 -59.16 -35.41 73.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.89 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -64.14 -18.09 64.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.494 -0.776 . . . . 10.0 111.568 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 47.5 mtm -107.75 -39.86 5.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.688 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 468' ' ' PHE . . . . . 0.537 ' CZ ' HG23 ' B' ' 44' ' ' ILE . 96.4 m-85 -119.17 85.75 30.83 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.716 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -84.27 12.82 2.91 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.895 2.397 . . . . 10.0 111.942 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -103.79 10.29 36.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.923 -0.58 . . . . 10.0 111.165 -179.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 471' ' ' VAL . . . . . 0.412 HG13 ' O ' ' D' ' 468' ' ' PHE . 7.2 p -123.39 134.21 25.06 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.088 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 472' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.42 122.18 11.26 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.617 2.211 . . . . 10.0 112.504 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -51.03 -42.93 60.79 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.679 -0.692 . . . . 10.0 112.705 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 27.2 p-80 -64.71 -26.03 68.2 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.833 0.309 . . . . 10.0 111.833 -179.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 31.3 mt -79.04 -31.98 44.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.818 0.342 . . . . 10.0 110.427 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 40.6 t -65.72 -41.76 91.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 178.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 16.0 mt -66.46 -19.44 65.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.352 -0.84 . . . . 10.0 110.806 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -73.38 -50.93 19.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.43 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -68.02 -33.73 75.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.851 0.358 . . . . 10.0 110.16 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.55 -25.73 66.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.056 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -91.66 -5.74 53.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 10.0 110.942 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -103.91 -56.5 2.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.901 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 65.9 p -86.17 -39.64 16.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.079 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 61.33 34.6 18.4 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.754 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -152.33 112.95 4.13 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 5.6 m -52.53 -34.18 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 O-C-N 123.411 0.445 . . . . 10.0 111.99 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -59.59 -47.84 83.98 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.001 0.429 . . . . 10.0 110.709 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 488' ' ' ILE . . . . . 0.427 ' O ' ' HB2' ' D' ' 492' ' ' ASN . 15.4 mt -74.77 -42.95 47.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.981 -179.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 78.5 m -54.46 -52.62 61.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.795 -0.639 . . . . 10.0 112.664 -178.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 2.4 m -60.61 -44.65 96.05 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.131 0.419 . . . . 10.0 112.131 -178.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -68.43 -36.8 79.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.067 0.461 . . . . 10.0 109.944 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 492' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' D' ' 488' ' ' ILE . 1.0 OUTLIER -57.43 -45.69 84.38 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.538 -0.756 . . . . 10.0 110.169 179.062 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 73.3 mt -66.34 -44.42 90.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.532 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.02 -31.27 72.43 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.311 -179.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -75.24 -28.59 59.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.332 . . . . 10.0 111.388 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 110.73 21.67 6.68 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.741 -0.742 . . . . 10.0 112.964 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 -72.74 -34.54 67.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.265 0.555 . . . . 10.0 109.589 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 3.2 mp -99.95 137.87 26.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.293 -0.867 . . . . 10.0 109.03 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 . . . . . 0 C--N 1.327 -0.394 0 CA-C-O 121.071 0.462 . . . . 10.0 111.993 -179.165 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 110.345 -0.242 . . . . 10.0 110.345 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -110.19 139.58 45.21 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.556 -0.293 . . . . 10.0 110.606 -179.697 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.0 pt -125.06 160.53 30.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.968 -0.382 . . . . 10.0 109.968 178.747 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 66' ' ' THR . 71.8 m-85 -115.13 114.02 24.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.91 0.386 . . . . 10.0 110.851 -179.224 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 59.1 t -106.2 116.46 50.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.108 -0.496 . . . . 10.0 109.72 179.328 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.8 tttp -102.44 133.6 47.12 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.969 0.414 . . . . 10.0 110.45 -179.529 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.4 p -95.8 170.55 9.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.345 179.639 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.69 -4.78 21.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 10.0 111.497 -179.757 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 39.9 p -97.31 -1.61 44.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.218 0.532 . . . . 10.0 110.691 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.96 -19.25 53.18 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.771 -0.65 . . . . 10.0 112.019 -179.809 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp -64.94 119.56 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.036 0.446 . . . . 10.0 110.648 -179.72 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.6 m -102.08 126.05 48.92 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.128 -179.867 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.7 mt -112.02 138.34 41.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.017 -178.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 m -102.38 131.17 49.18 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.754 -0.832 . . . . 10.0 108.754 178.316 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.7 mt -123.88 145.39 49.15 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.101 0.408 . . . . 10.0 112.101 -178.439 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -92.33 108.3 19.85 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.413 -0.958 . . . . 10.0 108.413 178.221 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.0 m -135.07 168.85 22.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.188 0.518 . . . . 10.0 111.547 -178.602 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.551 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 76.7 mm-40 -129.7 159.46 69.56 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 108.869 -0.789 . . . . 10.0 108.869 178.87 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -56.05 -28.29 68.8 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 122.279 1.986 . . . . 10.0 112.337 179.539 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.53 9.39 13.67 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.89 -0.596 . . . . 10.0 111.529 -179.809 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.551 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 1.8 m-20 -88.61 139.17 30.74 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.927 0.394 . . . . 10.0 110.108 179.671 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -94.7 155.42 16.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.421 179.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.3 mm -57.31 -38.8 64.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.829 -0.434 . . . . 10.0 109.829 179.718 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -59.24 -44.82 92.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.509 -0.769 . . . . 10.0 110.226 178.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.439 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 9.7 t-20 -66.73 -38.63 87.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.505 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.1 t -64.14 -40.42 89.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.389 179.514 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -63.37 -34.5 77.87 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.091 179.195 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.29 -31.73 72.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.516 179.157 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 61.2 mttt -68.67 -37.71 79.83 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.629 -0.508 . . . . 10.0 109.629 178.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 63.8 mt -72.06 -33.75 48.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-O 121.26 0.552 . . . . 10.0 109.847 178.795 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -64.76 -37.37 87.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.492 -0.776 . . . . 10.0 110.885 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -81.31 -26.83 35.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.074 0.464 . . . . 10.0 110.99 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -78.7 -56.17 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.454 -179.457 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -94.85 -51.5 4.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.876 0.369 . . . . 10.0 111.442 -178.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.19 2.36 10.06 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.023 -0.608 . . . . 10.0 112.263 -179.304 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.9 mt -75.46 124.93 89.22 Favored Pre-proline 0 C--N 1.327 -0.392 0 O-C-N 122.905 -0.173 . . . . 10.0 110.878 -179.77 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -62.33 137.5 65.85 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.692 2.261 . . . . 10.0 112.003 179.565 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -57.95 -21.6 50.42 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.008 2.472 . . . . 10.0 112.805 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -68.98 -25.62 64.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.363 0.601 . . . . 10.0 110.277 179.279 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -107.23 9.34 30.16 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.696 -179.447 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -99.56 115.99 30.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.246 -179.624 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -118.1 100.63 7.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.809 0.338 . . . . 10.0 110.114 178.644 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 36.0 mt -88.7 132.27 34.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.048 -179.554 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -125.21 132.77 70.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.585 179.528 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -132.67 126.4 32.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.076 179.674 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.84 28.39 15.94 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.083 0.468 . . . . 10.0 111.641 179.433 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.26 -4.03 86.38 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.967 -0.635 . . . . 10.0 113.157 179.568 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -106.25 132.09 52.71 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.055 0.455 . . . . 10.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -75.77 129.36 36.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.769 -0.65 . . . . 10.0 109.454 179.397 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.8 mt -80.02 147.29 31.58 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.343 -0.389 . . . . 10.0 110.461 -179.629 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -89.58 -144.47 0.16 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.015 -0.538 . . . . 10.0 109.748 179.395 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.5 -59.83 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.656 -0.418 . . . . 10.0 111.8 -179.188 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.32 44.9 3.26 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.99 -0.624 . . . . 10.0 113.153 -178.672 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -125.3 151.96 45.31 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.642 -0.503 . . . . 10.0 109.642 179.862 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.2 p -93.97 165.15 12.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.665 0.269 . . . . 10.0 110.397 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.9 mt -64.74 -33.48 76.08 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.003 0.43 . . . . 10.0 110.563 179.739 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.81 -23.4 66.04 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.056 179.35 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -66.83 -25.29 66.36 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.0 0.429 . . . . 10.0 110.909 179.866 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -110.75 7.69 22.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.83 -179.873 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.8 t30 64.97 31.71 11.09 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.397 -0.82 . . . . 10.0 111.287 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 93.1 mt -79.02 119.57 28.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 109.2 -0.667 . . . . 10.0 109.2 179.129 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -113.7 -164.57 0.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.228 0.537 . . . . 10.0 111.427 -178.46 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.1 pttt -68.41 140.06 55.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.675 -0.693 . . . . 10.0 111.691 -179.449 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 57.46 44.54 21.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.26 -0.882 . . . . 10.0 112.282 179.28 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.5 m -98.61 143.83 28.57 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 178.368 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 22.6 m -95.05 121.63 36.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.228 0.537 . . . . 10.0 111.691 -179.413 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -113.11 147.37 37.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.514 -0.766 . . . . 10.0 109.105 179.092 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -108.86 134.63 51.28 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.848 0.356 . . . . 10.0 110.736 179.702 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.8 tp -111.75 110.43 20.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.989 -0.551 . . . . 10.0 111.008 -179.789 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.6 t -94.58 133.7 34.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.02 179.674 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.0 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.874 -179.631 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.479 1.012 0 N-CA-C 110.117 -0.327 . . . . 10.0 110.117 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -110.01 139.51 45.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.739 -179.621 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.6 pt -127.18 158.4 38.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.738 178.79 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -115.64 115.08 25.77 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.648 -0.251 . . . . 10.0 110.641 -179.585 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -98.99 121.13 49.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 110.19 -0.3 . . . . 10.0 110.19 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 39.2 tttp -97.88 139.23 34.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.639 -0.255 . . . . 10.0 110.483 -179.288 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 41.6 p -117.16 172.9 6.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.228 -179.643 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 40.4 mt -82.29 -4.08 56.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.123 179.731 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.13 7.07 46.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.142 0.496 . . . . 10.0 110.573 179.786 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.27 37.61 71.29 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.813 -0.631 . . . . 10.0 112.265 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -128.62 110.67 12.45 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.796 0.331 . . . . 10.0 110.869 -179.496 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 20.3 m -87.11 123.67 32.42 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.411 -0.588 . . . . 10.0 109.411 178.694 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 37.1 mt -103.69 136.69 35.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.404 -179.017 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.37 134.0 36.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.011 -0.541 . . . . 10.0 109.659 178.318 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 18.0 mt -134.61 131.41 37.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.848 0.356 . . . . 10.0 111.569 -179.788 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -88.5 105.83 17.88 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.06 178.306 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 29.6 m -136.45 169.9 19.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.378 -179.684 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.429 ' O ' HD12 ' B' ' 56' ' ' LEU . 5.7 mm-40 -126.18 157.83 68.55 Favored Pre-proline 0 C--N 1.317 -0.809 0 N-CA-C 108.496 -0.927 . . . . 10.0 108.496 178.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -56.57 -23.86 50.66 Favored 'Trans proline' 0 CA--C 1.529 0.266 0 C-N-CA 122.14 1.893 . . . . 10.0 111.946 179.677 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.63 -3.63 53.97 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.568 -0.742 . . . . 10.0 112.185 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -78.54 147.96 33.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.919 0.39 . . . . 10.0 110.186 -179.795 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.1 m -93.66 145.23 24.71 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.772 -179.394 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.8 mm -52.66 -39.95 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-O 120.969 0.414 . . . . 10.0 110.963 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -58.11 -39.07 77.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.635 -0.711 . . . . 10.0 111.236 179.565 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -76.03 -33.73 59.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.82 0.343 . . . . 10.0 110.787 -179.808 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.13 -52.05 65.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.728 179.751 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -68.42 -26.61 65.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.387 179.823 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.91 -30.21 69.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.174 0.511 . . . . 10.0 109.873 178.736 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -71.87 -36.1 69.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.705 -0.68 . . . . 10.0 109.549 178.787 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 66.3 mt -69.48 -31.07 47.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 N-CA-C 108.781 -0.822 . . . . 10.0 108.781 178.176 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.508 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 8.0 tt0 -67.41 -23.87 65.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.979 -1.009 . . . . 10.0 109.861 178.662 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -87.55 -38.14 16.26 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.554 179.631 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -75.0 -57.57 3.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.386 -179.674 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -88.55 -47.44 8.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.854 0.359 . . . . 10.0 110.994 -179.022 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.508 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 114.17 -4.17 23.77 Favored Glycine 0 N--CA 1.454 -0.122 0 C-N-CA 120.456 -0.878 . . . . 10.0 112.485 -179.775 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 35.0 mt -65.07 125.81 89.98 Favored Pre-proline 0 C--N 1.324 -0.51 0 C-N-CA 122.287 0.235 . . . . 10.0 111.167 -179.461 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.29 144.62 95.67 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.78 2.32 . . . . 10.0 112.258 179.56 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -60.94 -24.53 79.62 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.774 2.316 . . . . 10.0 113.122 -179.475 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -65.53 -45.34 83.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.04 0.448 . . . . 10.0 111.299 -179.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -78.11 -14.93 59.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.64 -178.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -82.83 111.62 18.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.149 -0.478 . . . . 10.0 112.122 -178.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -113.18 113.08 24.84 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.926 -0.768 . . . . 10.0 108.926 178.218 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 41.1 mt -91.07 116.53 28.88 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.869 0.366 . . . . 10.0 111.295 -178.288 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -112.58 137.38 45.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.277 179.643 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -134.46 124.37 25.5 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.037 -0.727 . . . . 10.0 109.037 178.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.09 13.96 6.17 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.089 -0.505 . . . . 10.0 112.097 179.516 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.7 -3.87 39.41 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.651 -0.785 . . . . 10.0 113.739 179.349 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -119.89 157.82 27.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 117.442 0.621 . . . . 10.0 110.488 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -88.53 144.77 26.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.321 0.581 . . . . 10.0 111.578 -178.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 19.8 mt -95.88 139.38 32.17 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.429 -0.805 . . . . 10.0 109.722 179.25 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.47 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 1.9 mt-10 -80.47 139.68 36.3 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.574 -0.528 . . . . 10.0 109.574 179.674 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.44 -40.13 74.27 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.286 0.476 . . . . 10.0 112.286 -179.101 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.39 46.33 3.2 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.84 -0.695 . . . . 10.0 113.235 -179.222 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.47 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 34.1 mmt180 -133.57 162.0 33.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.907 0.354 . . . . 10.0 110.425 179.399 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.09 160.47 14.61 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.993 179.395 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.429 HD12 ' O ' ' B' ' 18' ' ' GLU . 96.7 mt -62.49 -35.28 78.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.86 0.362 . . . . 10.0 110.895 -179.548 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.16 -20.99 66.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.706 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -66.66 -32.85 74.43 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.834 0.349 . . . . 10.0 110.958 -179.331 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -105.02 9.22 34.5 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.824 0.345 . . . . 10.0 110.21 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 63.89 32.18 13.42 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.557 -0.747 . . . . 10.0 111.265 -179.847 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 67.0 mt -77.79 107.47 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.122 0.487 . . . . 10.0 110.033 179.58 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -97.05 -165.43 1.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.616 -0.72 . . . . 10.0 111.327 -179.172 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 31.1 pttt -76.29 152.02 36.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.771 -0.65 . . . . 10.0 111.035 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 69.83 16.05 7.84 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.818 0.699 . . . . 10.0 111.651 179.45 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 28.3 m -82.1 150.3 27.57 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.787 0.327 . . . . 10.0 110.698 179.669 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.1 m -107.69 130.06 54.96 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.335 179.821 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 20.1 mt -110.86 145.92 37.39 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.877 0.37 . . . . 10.0 110.866 -179.497 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.535 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 34.7 m170 -101.07 119.47 38.8 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.168 179.691 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 43.4 tp -99.96 100.23 11.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.029 0.442 . . . . 10.0 110.467 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.449 HG13 ' CD1' ' D' ' 494' ' ' LEU . 54.8 t -86.28 131.47 34.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.16 -179.408 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 31.6 mt -90.97 134.23 34.65 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.029 -0.73 . . . . 10.0 109.029 178.845 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 C-N-CA 121.127 -0.229 . . . . 10.0 110.953 -179.786 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.26 0 CA-C-O 120.841 0.353 . . . . 10.0 111.469 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -71.82 -43.09 66.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.054 0.454 . . . . 10.0 110.179 -179.797 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 457' ' ' LEU . . . . . 0.417 HD22 ' HB3' ' D' ' 480' ' ' LEU . 57.7 mt -63.82 -41.1 97.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -60.63 -41.88 95.78 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.385 -0.371 . . . . 10.0 110.872 179.861 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -67.55 -46.39 72.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.905 179.771 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 42.2 mtm -62.64 -40.96 98.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.643 179.757 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.18 -38.72 90.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.476 179.412 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -61.95 -43.48 98.75 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.257 -0.428 . . . . 10.0 110.527 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -57.82 -42.83 85.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.934 0.397 . . . . 10.0 110.723 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 52.8 mt -72.26 -37.17 57.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.987 -0.552 . . . . 10.0 110.034 179.309 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 -60.37 -33.69 72.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.072 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -68.99 -21.33 64.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.816 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 467' ' ' MET . . . . . 0.535 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 8.2 mtm -101.48 -19.31 15.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.176 -179.688 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 468' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -127.35 80.07 72.28 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-O 121.044 0.45 . . . . 10.0 109.876 179.119 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -77.23 39.45 0.73 Allowed 'Trans proline' 0 CA--C 1.531 0.339 0 C-N-CA 122.682 2.255 . . . . 10.0 112.946 -178.794 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -156.49 23.47 0.35 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.749 0.309 . . . . 10.0 111.299 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 471' ' ' VAL . . . . . . . . . . . . . 14.0 p -120.18 134.67 24.09 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.651 -0.25 . . . . 10.0 110.424 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 472' ' ' PRO . . . . . 0.449 ' O ' HG23 ' D' ' 476' ' ' VAL . 33.8 Cg_exo -61.4 119.71 6.99 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.501 2.134 . . . . 10.0 112.234 179.295 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -52.45 -45.09 65.88 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.706 -0.679 . . . . 10.0 111.881 -179.138 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 33.7 p-80 -61.57 -31.35 71.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.746 -179.317 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 23.1 mt -76.3 -35.53 58.79 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.977 -0.379 . . . . 10.0 109.977 179.528 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 476' ' ' VAL . . . . . 0.449 HG23 ' O ' ' D' ' 472' ' ' PRO . 26.8 t -63.95 -41.4 92.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 109.213 -0.662 . . . . 10.0 109.213 178.69 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 78.8 mt -62.96 -35.27 79.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.521 -0.763 . . . . 10.0 110.099 178.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 478' ' ' GLN . . . . . 0.412 HE21 ' HB3' ' D' ' 478' ' ' GLN . 4.8 tt0 -63.89 -50.24 69.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.383 179.329 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -62.71 -40.67 97.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.211 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 480' ' ' LEU . . . . . 0.417 ' HB3' HD22 ' D' ' 457' ' ' LEU . 0.5 OUTLIER -59.94 -22.99 63.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.835 -0.621 . . . . 10.0 111.401 179.88 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -86.51 -15.59 39.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.941 0.4 . . . . 10.0 111.106 179.721 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -101.02 -52.53 3.26 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.075 -179.576 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 66.5 p -83.08 -49.66 9.3 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.946 -179.061 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 69.3 31.62 3.84 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.898 0.749 . . . . 10.0 110.782 179.744 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 2.0 t -147.16 125.58 12.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.149 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 28.4 m -60.35 -33.07 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 CA-C-N 116.631 -0.259 . . . . 10.0 111.642 -179.236 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -63.34 -53.97 44.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.045 0.45 . . . . 10.0 110.447 179.737 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 30.2 mt -65.56 -39.7 85.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.689 -0.687 . . . . 10.0 112.002 -178.694 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 489' ' ' THR . . . . . 0.438 ' O ' HG13 ' D' ' 493' ' ' ILE . 89.5 m -61.23 -53.13 60.77 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.714 0.264 . . . . 10.0 111.714 -179.4 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 1.4 m -64.3 -35.3 80.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.755 0.312 . . . . 10.0 110.579 -179.738 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -66.77 -39.66 87.94 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.491 -0.559 . . . . 10.0 109.491 179.007 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 492' ' ' ASN . . . . . 0.456 ' HB3' ' HB3' ' D' ' 497' ' ' ARG . 21.6 m-20 -59.41 -36.11 75.24 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.631 -0.713 . . . . 10.0 110.618 179.008 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 493' ' ' ILE . . . . . 0.438 HG13 ' O ' ' D' ' 489' ' ' THR . 47.8 mt -71.23 -37.01 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.443 179.185 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 494' ' ' LEU . . . . . 0.449 ' CD1' HG13 ' B' ' 70' ' ' VAL . 9.9 mt -82.41 12.81 4.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.894 -0.593 . . . . 10.0 111.408 -179.535 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -122.63 -86.13 0.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.081 -0.34 . . . . 10.0 110.081 179.103 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . -176.42 26.46 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.355 -0.926 . . . . 10.0 112.922 179.838 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 497' ' ' ARG . . . . . 0.456 ' HB3' ' HB3' ' D' ' 492' ' ' ASN . 9.6 tpp180 -90.17 -61.02 1.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.784 0.325 . . . . 10.0 110.262 179.927 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 498' ' ' ILE . . . . . 0.401 HD13 HG12 ' D' ' 493' ' ' ILE . 31.7 mt -84.8 109.3 17.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 179.538 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.481 -179.966 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 110.13 -0.322 . . . . 10.0 110.13 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -100.38 136.42 40.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.924 0.392 . . . . 10.0 111.548 -179.235 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.1 pt -126.57 164.85 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.746 -0.661 . . . . 10.0 109.787 178.74 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -122.06 114.46 20.96 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.784 0.326 . . . . 10.0 110.855 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.8 t -101.39 115.22 42.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 179.099 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.1 tttp -107.89 135.09 49.86 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.828 0.347 . . . . 10.0 110.921 -179.303 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.9 p -97.0 172.9 7.56 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.483 179.513 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 67.7 mt -67.02 -13.23 61.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.203 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.58 2.35 56.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.502 . . . . 10.0 111.06 179.864 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.23 -22.5 19.08 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.0 -0.619 . . . . 10.0 112.454 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -58.64 115.74 3.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.899 0.38 . . . . 10.0 110.573 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 m -102.87 128.67 49.55 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.525 -179.521 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mt -111.14 146.83 15.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.708 -179.211 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.7 m -107.37 126.66 52.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.177 179.539 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.8 mt -131.89 138.63 48.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.039 0.447 . . . . 10.0 111.153 -179.624 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -92.29 110.68 22.08 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.566 -0.743 . . . . 10.0 110.112 179.361 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.6 m -132.54 150.25 33.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.047 0.451 . . . . 10.0 110.803 -179.853 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -104.05 158.99 30.76 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.704 -0.68 . . . . 10.0 109.673 179.406 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.7 -15.86 33.92 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.671 2.247 . . . . 10.0 113.062 -179.852 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.99 11.59 29.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.501 -179.831 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -84.66 170.54 13.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.92 0.39 . . . . 10.0 110.281 179.779 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.448 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -121.8 144.37 48.85 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.449 -179.524 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.1 mm -54.96 -41.43 58.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-O 120.907 0.384 . . . . 10.0 110.909 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.54 -42.15 95.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.022 -0.536 . . . . 10.0 110.619 179.179 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -68.76 -39.63 80.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.912 -0.586 . . . . 10.0 110.814 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 22' ' ' THR . 98.0 t -59.62 -42.99 90.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.25 179.277 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.409 ' HZ1' ' CG ' ' A' ' 52' ' ' ASP . 39.1 mtmt -62.64 -34.09 76.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.412 179.39 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.71 -32.86 72.95 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.288 179.109 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -67.94 -41.71 82.1 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.418 -0.586 . . . . 10.0 109.418 178.745 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 54.3 mt -67.98 -35.34 71.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.854 -0.612 . . . . 10.0 109.568 178.711 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -61.07 -36.64 80.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.415 -0.811 . . . . 10.0 111.513 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -79.02 -23.49 44.32 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.414 0.524 . . . . 10.0 112.414 -178.345 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -95.32 -44.85 7.39 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.473 0.546 . . . . 10.0 112.473 -178.674 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -93.9 -26.68 16.77 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.644 0.259 . . . . 10.0 111.658 -178.801 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.87 11.38 63.62 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.616 -0.802 . . . . 10.0 112.523 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.0 mt -87.21 123.13 70.46 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 110.594 -0.151 . . . . 10.0 110.594 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -55.89 138.07 80.8 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.791 2.328 . . . . 10.0 112.457 179.8 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -63.91 -27.57 66.89 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.775 2.317 . . . . 10.0 112.453 -179.489 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -74.26 -20.65 60.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.5 179.773 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -107.87 17.58 22.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.529 -179.343 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -110.54 120.57 42.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.565 -0.743 . . . . 10.0 110.583 -179.833 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -122.71 115.39 21.99 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.99 -0.374 . . . . 10.0 109.99 179.256 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.4 mt -100.22 134.15 43.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.265 -179.249 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mp -125.95 135.28 64.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.137 179.378 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -127.94 117.62 22.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.455 179.407 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.31 21.43 10.91 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.727 -0.669 . . . . 10.0 112.157 179.498 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.99 -6.37 60.0 Favored Glycine 0 CA--C 1.517 0.165 0 C-N-CA 120.738 -0.744 . . . . 10.0 112.847 179.609 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -105.6 130.72 53.58 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.864 -0.421 . . . . 10.0 109.864 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -76.54 137.3 39.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.746 0.307 . . . . 10.0 110.309 -179.631 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.2 mt -89.52 130.29 35.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.986 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.465 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 32.6 mt-10 -82.25 153.03 26.09 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.814 -0.439 . . . . 10.0 109.814 179.231 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.409 ' CG ' ' HZ1' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -59.83 -48.62 80.95 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.246 -0.433 . . . . 10.0 111.829 -179.256 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.9 54.76 4.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.796 -0.716 . . . . 10.0 113.014 -179.148 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.465 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 24.8 mmt180 -138.82 161.63 36.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 10.0 110.37 179.551 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.4 p -104.39 174.72 5.75 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.174 179.17 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.4 mt -73.1 -35.02 66.51 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.175 0.512 . . . . 10.0 110.069 179.415 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.38 -22.59 63.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.759 -0.655 . . . . 10.0 111.112 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.75 -34.02 70.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.54 -179.855 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -109.17 18.43 20.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.448 -179.325 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.6 t30 58.96 34.32 23.54 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.7 mt -79.13 119.13 27.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.475 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -104.91 -167.85 1.4 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.611 -0.722 . . . . 10.0 109.613 179.319 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -75.34 159.66 31.19 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.316 -0.253 . . . . 10.0 110.316 179.263 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 62.81 30.21 16.67 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.885 179.273 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.5 m -94.86 142.07 27.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.76 0.314 . . . . 10.0 110.513 179.613 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.47 116.49 31.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.835 -179.919 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mp -101.22 137.57 39.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.961 -0.563 . . . . 10.0 109.676 179.797 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -97.81 121.43 39.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.256 -179.517 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.6 tp -104.55 117.88 35.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.587 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.1 t -103.35 134.22 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.438 179.854 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.8 mt . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.783 -179.841 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.581 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 23.2 ptt? . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 120.915 0.388 . . . . 10.0 110.156 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -84.02 135.67 34.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.882 -179.252 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.9 pt -132.64 164.97 33.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.577 178.506 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.472 ' O ' ' HA ' ' B' ' 66' ' ' THR . 56.7 m-85 -125.72 121.18 32.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.696 -0.229 . . . . 10.0 110.559 -179.75 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 45.6 t -105.83 125.12 61.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.581 0.229 . . . . 10.0 110.411 179.7 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.48 ' HE2' ' OE1' ' D' ' 466' ' ' GLU . 45.7 tttp -102.77 142.43 33.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.857 0.361 . . . . 10.0 110.615 -179.821 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 16.6 p -118.13 162.09 18.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.594 179.825 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 18.0 mt -66.28 -15.9 63.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.057 0.456 . . . . 10.0 111.148 179.329 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.63 -2.33 57.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.833 179.491 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.62 26.49 58.86 Favored Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 115.88 -0.6 . . . . 10.0 112.604 179.572 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 35.2 tttm -108.98 126.91 53.6 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.166 -0.309 . . . . 10.0 110.166 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -96.83 123.07 40.43 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.368 179.756 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 28.4 mt -106.41 131.65 55.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.904 -179.168 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.93 131.94 49.51 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.089 -0.505 . . . . 10.0 109.717 179.332 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 9.2 mt -137.78 156.72 47.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.173 0.511 . . . . 10.0 111.994 -179.052 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -106.11 107.7 18.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.989 -1.005 . . . . 10.0 108.48 178.326 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.581 ' O ' ' HG2' ' B' ' 1' ' ' MET . 14.4 m -135.72 145.17 31.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.988 -178.654 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.578 ' O ' HD12 ' B' ' 56' ' ' LEU . 25.8 mm-40 -96.9 155.14 37.93 Favored Pre-proline 0 C--N 1.318 -0.779 0 N-CA-C 109.603 -0.518 . . . . 10.0 109.603 178.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -56.96 -22.82 48.37 Favored 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 122.461 2.107 . . . . 10.0 112.643 -179.896 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.86 12.66 29.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.867 -179.531 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -84.51 153.44 23.29 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.936 -0.394 . . . . 10.0 109.936 179.579 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.485 ' O ' HG21 ' B' ' 26' ' ' VAL . 0.6 OUTLIER -92.07 148.63 22.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.544 -0.298 . . . . 10.0 111.336 -179.115 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 46.3 mm -58.31 -44.32 88.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.647 179.716 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.27 -34.71 74.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.657 179.662 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -71.4 -37.14 71.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.346 179.731 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.485 HG21 ' O ' ' B' ' 22' ' ' THR . 57.7 t -61.12 -41.39 89.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.421 -0.585 . . . . 10.0 109.421 178.586 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -66.44 -31.04 71.54 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.694 -0.685 . . . . 10.0 110.114 179.122 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.31 -33.73 76.4 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.19 0.519 . . . . 10.0 110.069 178.843 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -69.87 -38.86 76.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.768 179.112 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 45.1 mt -71.35 -32.56 47.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.575 0.702 . . . . 10.0 109.119 178.214 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.507 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 37.3 tt0 -64.52 -32.26 73.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.997 -1.001 . . . . 10.0 110.215 179.211 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -81.83 -41.3 21.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.994 179.875 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -69.53 -64.06 0.95 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.95 -0.568 . . . . 10.0 112.401 -179.152 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -83.38 -44.66 14.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.418 -0.355 . . . . 10.0 111.468 -178.467 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.507 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 100.6 41.8 2.64 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.552 -0.832 . . . . 10.0 112.076 -179.372 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 58.9 mt -107.69 125.37 32.38 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 110.525 -0.176 . . . . 10.0 110.525 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.22 138.63 54.66 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.859 2.373 . . . . 10.0 112.387 179.443 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.06 -17.06 54.47 Favored 'Trans proline' 0 C--O 1.236 0.375 0 C-N-CA 122.624 2.216 . . . . 10.0 112.411 -179.026 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -73.71 -33.1 64.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.722 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -93.64 -16.19 24.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.88 -179.422 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -74.72 93.78 2.62 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.667 -179.776 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.412 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 12.0 mtp180 -101.1 102.15 13.04 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.852 -0.795 . . . . 10.0 108.852 178.31 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 11.2 mt -83.83 134.63 34.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.995 0.426 . . . . 10.0 111.961 -178.609 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.2 mp -127.16 142.36 43.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.439 -0.8 . . . . 10.0 109.765 179.319 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -137.1 109.34 7.28 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.775 -0.454 . . . . 10.0 109.775 179.231 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.35 31.03 10.77 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.425 179.724 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.03 -6.55 79.03 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.656 -0.783 . . . . 10.0 113.338 179.189 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -109.12 140.65 42.41 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 122.633 -0.334 . . . . 10.0 110.185 179.879 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.05 143.43 43.48 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 110.209 -0.293 . . . . 10.0 110.209 179.859 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 81.3 mt -92.13 115.08 27.76 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.244 179.793 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.417 ' HB3' ' CG ' ' B' ' 54' ' ' ARG . 38.6 tt0 -67.38 122.29 17.6 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 178.867 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -53.57 -33.36 54.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.599 -0.728 . . . . 10.0 112.536 -177.939 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.78 24.4 6.7 Favored Glycine 0 CA--C 1.521 0.432 0 C-N-CA 120.88 -0.676 . . . . 10.0 113.745 -179.236 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.417 ' CG ' ' HB3' ' B' ' 51' ' ' GLU . 26.8 mmm-85 -122.56 171.56 9.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 117.335 0.567 . . . . 10.0 110.247 179.406 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.444 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 62.8 p -105.58 175.29 5.55 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.284 179.356 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.578 HD12 ' O ' ' B' ' 18' ' ' GLU . 78.1 mt -68.24 -29.75 68.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.113 0.482 . . . . 10.0 110.282 178.937 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 67.4 m -73.07 -19.13 61.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.842 179.857 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.4 m-20 -65.68 -28.58 69.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.712 179.566 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -116.56 14.76 15.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.856 -179.492 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 57.67 32.21 21.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.686 -0.688 . . . . 10.0 112.026 179.294 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.403 ' O ' ' HE1' ' B' ' 1' ' ' MET . 92.0 mt -69.98 122.88 22.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 179.306 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -113.18 -167.62 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.079 0.466 . . . . 10.0 111.201 -178.518 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 6.2 pttp -73.61 147.08 44.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.328 179.557 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 65.54 11.92 7.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.511 -0.768 . . . . 10.0 112.153 179.484 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 67.0 m -76.82 137.53 39.29 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.894 0.378 . . . . 10.0 110.011 179.177 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 2.0 m -93.8 124.98 38.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.923 -0.58 . . . . 10.0 111.242 -179.551 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 mp -106.1 154.2 20.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.774 179.499 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.469 ' HB3' ' SD ' ' D' ' 467' ' ' MET . 29.3 m80 -111.97 130.46 55.85 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.515 -0.311 . . . . 10.0 110.234 -179.924 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 50.1 tp -115.02 113.49 24.16 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.829 0.347 . . . . 10.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.412 ' HB ' ' HB2' ' B' ' 42' ' ' ARG . 58.8 t -92.86 125.07 45.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.436 179.842 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 49.1 mt -88.72 105.28 17.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.406 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.469 ' HD2' ' OD1' ' D' ' 491' ' ' ASP . 18.6 ttt85 . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.615 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.372 0 CA-C-O 120.793 0.33 . . . . 10.0 110.337 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -66.57 -36.56 82.94 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.838 -0.43 . . . . 10.0 109.838 179.314 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 77.2 mt -64.41 -42.94 95.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.899 -0.592 . . . . 10.0 110.035 179.147 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 -61.69 -46.31 90.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.168 179.734 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.99 -41.51 97.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.967 -0.56 . . . . 10.0 111.005 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 43.1 mtm -64.73 -36.16 83.39 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -67.15 -30.92 71.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.24 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 462' ' ' HIS . . . . . 0.438 ' O ' ' HG3' ' D' ' 466' ' ' GLU . 67.8 t60 -59.53 -43.86 93.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.795 -179.724 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.51 -33.61 70.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.18 0.514 . . . . 10.0 111.276 -179.673 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 84.6 mt -77.24 -35.64 22.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.363 179.712 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -65.77 -29.86 70.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.634 179.677 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . 0.48 ' OE1' ' HE2' ' B' ' 6' ' ' LYS . 57.1 mt-10 -67.22 -23.4 65.72 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.514 179.252 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 467' ' ' MET . . . . . 0.469 ' SD ' ' HB3' ' B' ' 68' ' ' HIS . 32.3 mtm -99.82 -37.28 9.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.716 -179.551 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 468' ' ' PHE . . . . . 0.416 ' O ' HG13 ' D' ' 471' ' ' VAL . 25.4 m-85 -118.51 90.8 40.12 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.192 179.453 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo -82.82 3.08 8.09 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.7 2.267 . . . . 10.0 112.371 -179.383 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -116.12 27.33 9.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.126 -179.738 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 471' ' ' VAL . . . . . 0.441 ' HA ' ' HD3' ' D' ' 472' ' ' PRO . 6.2 p -123.52 137.11 28.02 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.233 -0.439 . . . . 10.0 109.945 179.299 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 472' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' D' ' 471' ' ' VAL . 22.8 Cg_exo -66.79 126.1 14.8 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.534 2.156 . . . . 10.0 112.696 179.516 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -55.12 -45.98 75.56 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.471 -0.786 . . . . 10.0 111.724 -179.483 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 44.7 p-80 -64.83 -25.02 67.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.784 -179.295 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 12.4 mt -80.42 -33.6 36.8 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.074 -0.343 . . . . 10.0 110.074 179.315 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 89.6 t -67.61 -40.04 83.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 108.652 -0.87 . . . . 10.0 108.652 178.185 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . 0.451 ' O ' ' HG3' ' D' ' 481' ' ' GLN . 66.1 mt -64.68 -21.39 66.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.149 -0.932 . . . . 10.0 110.709 178.906 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -70.65 -52.43 21.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.236 179.609 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -67.22 -35.25 79.2 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.976 0.417 . . . . 10.0 110.253 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -25.37 62.83 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.749 -0.659 . . . . 10.0 111.226 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 481' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' D' ' 477' ' ' LEU . 77.8 mt-30 -85.25 -15.42 43.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.701 0.286 . . . . 10.0 111.218 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -98.06 -58.19 2.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.472 -0.331 . . . . 10.0 110.955 -179.524 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 46.9 p -77.62 -44.07 29.48 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.826 0.346 . . . . 10.0 110.658 -179.376 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 68.77 32.7 3.98 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.348 -0.842 . . . . 10.0 111.117 179.532 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 1.9 t -147.43 115.34 6.47 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.355 -0.839 . . . . 10.0 109.127 179.278 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 13.0 m -58.12 -33.2 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.371 . . . . 10.0 111.335 -179.651 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 30.1 mp0 -63.28 -52.45 61.95 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.816 179.458 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 60.6 mt -67.09 -40.29 85.05 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.531 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 489' ' ' THR . . . . . 0.553 ' O ' HG13 ' D' ' 493' ' ' ILE . 65.1 m -57.79 -57.46 12.64 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.082 0.401 . . . . 10.0 112.082 -179.014 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 490' ' ' THR . . . . . 0.439 HG23 ' CE ' ' D' ' 467' ' ' MET . 2.5 m -58.21 -40.1 80.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.126 0.488 . . . . 10.0 111.1 -179.174 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 491' ' ' ASP . . . . . 0.469 ' OD1' ' HD2' ' B' ' 72' ' ' ARG . 6.6 t70 -68.43 -42.07 79.44 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.335 -0.848 . . . . 10.0 110.455 179.664 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -62.5 -29.36 70.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.383 -0.826 . . . . 10.0 110.633 179.367 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 493' ' ' ILE . . . . . 0.553 HG13 ' O ' ' D' ' 489' ' ' THR . 89.9 mt -63.29 -39.09 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.137 0 N-CA-C 109.329 -0.619 . . . . 10.0 109.329 178.338 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.11 -21.46 65.85 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.557 179.12 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -77.86 -16.52 58.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.83 179.629 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 93.33 14.48 53.79 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.801 -0.714 . . . . 10.0 112.873 179.834 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.73 -46.3 63.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.205 0.526 . . . . 10.0 110.508 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 3.0 mp -81.65 128.8 38.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.317 179.472 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 69.4 mm-40 . . . . . 0 C--N 1.324 -0.502 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.817 -179.439 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.491 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 26.2 ptt? . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.678 0.275 . . . . 10.0 110.359 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -101.0 129.68 46.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.626 179.798 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.2 pt -123.75 160.99 26.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.142 -0.481 . . . . 10.0 109.947 179.176 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.472 ' O ' ' HA ' ' A' ' 66' ' ' THR . 88.6 m-85 -122.64 122.8 39.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.636 0.255 . . . . 10.0 110.763 -179.443 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.8 t -109.14 120.32 60.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.796 -0.446 . . . . 10.0 109.796 179.271 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.2 mttp -106.85 135.35 48.55 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.994 0.425 . . . . 10.0 110.981 -179.502 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 69.0 p -97.33 176.53 5.86 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.358 179.279 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.8 mt -77.9 -7.12 56.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.028 0.442 . . . . 10.0 110.466 179.463 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.77 2.7 52.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.429 -179.767 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.24 27.5 44.13 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.996 -0.621 . . . . 10.0 112.398 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -101.15 125.88 47.81 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.277 -0.268 . . . . 10.0 110.277 -179.754 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.5 m -105.86 102.52 11.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.121 0.486 . . . . 10.0 110.404 179.687 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.4 mp -91.59 121.65 42.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.599 -179.806 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.86 134.83 33.99 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.494 179.052 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.52 147.48 37.85 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.557 0.218 . . . . 10.0 111.204 -179.183 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -113.96 108.43 17.02 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 178.771 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.491 ' O ' ' HG2' ' A' ' 1' ' ' MET . 2.8 m -138.04 -176.36 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.571 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.487 ' O ' HD11 ' A' ' 56' ' ' LEU . 16.1 mm-40 -132.7 160.03 70.07 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 110.255 -0.276 . . . . 10.0 110.255 179.717 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.428 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 50.7 Cg_exo -54.17 -27.21 45.7 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.851 2.367 . . . . 10.0 113.438 -179.869 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.77 0.18 44.89 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.207 0.447 . . . . 10.0 112.207 -179.396 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.83 140.12 35.59 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.889 0.376 . . . . 10.0 110.414 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -81.1 140.29 35.15 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.943 -0.572 . . . . 10.0 110.3 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.5 mm -54.51 -40.75 51.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 120.799 0.333 . . . . 10.0 111.331 -179.713 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.87 -41.76 87.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.414 179.309 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -67.49 -36.39 81.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.965 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.404 ' O ' HG13 ' A' ' 30' ' ' ILE . 86.3 t -61.71 -47.38 93.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.841 178.826 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -63.98 -36.02 82.59 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.197 179.295 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.32 -29.58 70.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.651 179.532 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -76.29 -35.3 58.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.151 179.078 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 26' ' ' VAL . 66.2 mt -67.24 -34.03 66.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.036 179.273 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -65.43 -31.42 72.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.728 179.579 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -78.15 -35.42 48.92 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.166 179.744 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -70.8 -61.38 1.79 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.997 179.566 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -88.79 -70.68 0.63 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.969 -179.07 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.8 44.36 0.13 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 10.0 112.126 -179.688 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 41.3 mt -114.57 126.64 27.69 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 110.478 -0.193 . . . . 10.0 110.478 -179.324 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.69 139.26 58.47 Favored 'Trans proline' 0 CA--C 1.533 0.436 0 C-N-CA 122.837 2.358 . . . . 10.0 112.377 179.434 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -65.65 -17.19 56.26 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.772 2.315 . . . . 10.0 112.157 -179.473 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -76.56 -33.21 58.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.573 -0.739 . . . . 10.0 110.364 179.398 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -95.09 -6.41 42.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.676 -179.558 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -84.75 111.72 19.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.85 -0.614 . . . . 10.0 111.918 -179.189 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.2 mtt180 -117.24 110.89 18.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.068 178.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 70.5 mt -98.1 126.88 43.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.114 -0.493 . . . . 10.0 111.264 -179.835 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -121.81 134.48 64.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.626 179.46 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -130.92 118.5 20.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.533 -0.303 . . . . 10.0 110.596 179.782 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.09 25.05 13.43 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.944 -0.571 . . . . 10.0 112.11 179.257 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.58 -17.14 58.83 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.894 -0.669 . . . . 10.0 112.57 179.873 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -94.91 132.59 39.57 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.034 0.445 . . . . 10.0 111.056 -179.719 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -79.1 133.12 36.77 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.343 179.325 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.6 mt -83.9 123.43 29.93 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.798 0.333 . . . . 10.0 110.742 -179.251 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.483 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 6.1 mt-10 -80.92 145.72 31.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.326 179.789 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -55.97 -49.12 74.45 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.654 0.613 . . . . 10.0 112.654 -178.797 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.77 32.88 3.36 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 120.731 -0.747 . . . . 10.0 114.641 -177.631 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.483 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 41.3 mmt-85 -124.63 167.15 14.91 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 117.665 0.732 . . . . 10.0 110.326 179.341 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.1 p -107.98 165.04 11.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.502 -0.317 . . . . 10.0 110.924 179.69 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.487 HD11 ' O ' ' A' ' 18' ' ' GLU . 90.7 mt -63.5 -31.08 72.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.149 -179.848 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 p -70.99 -18.84 62.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.747 -179.574 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -66.57 -30.61 70.95 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.849 0.357 . . . . 10.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -107.03 13.05 27.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.487 -179.602 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 59.0 32.33 22.18 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.273 -0.876 . . . . 10.0 111.56 -179.693 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.0 mt -73.78 111.17 8.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.837 -0.431 . . . . 10.0 109.837 179.73 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -103.2 -164.93 1.12 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.628 -179.287 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -74.68 155.38 37.8 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.695 0.283 . . . . 10.0 111.256 -179.724 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 65.15 13.74 8.93 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.655 -0.702 . . . . 10.0 112.401 179.656 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.3 m -78.67 145.18 34.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.734 0.302 . . . . 10.0 110.549 179.821 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 72.1 m -106.22 119.62 39.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.779 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 mp -102.08 147.91 26.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.637 -0.71 . . . . 10.0 109.645 179.63 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 22.9 m80 -104.85 128.88 53.2 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.981 -0.377 . . . . 10.0 109.981 179.9 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.1 tp -109.12 112.36 24.49 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.052 0.453 . . . . 10.0 111.11 -179.611 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.4 t -105.66 133.29 50.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.677 -0.692 . . . . 10.0 109.186 178.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 61.8 mt . . . . . 0 C--N 1.323 -0.586 0 CA-C-O 120.716 0.293 . . . . 10.0 110.849 -179.244 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptt? . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 110.154 -0.313 . . . . 10.0 110.154 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 60.4 mm-40 -107.75 145.34 33.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.845 0.355 . . . . 10.0 111.543 -179.149 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 23.3 pt -130.98 161.07 41.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.675 178.624 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -114.36 108.24 16.63 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.655 0.264 . . . . 10.0 110.871 -179.287 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 83.5 t -95.58 118.07 41.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.441 -0.577 . . . . 10.0 109.441 178.877 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -103.22 139.1 39.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.046 0.45 . . . . 10.0 111.051 -178.879 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 7.9 p -111.68 168.08 9.84 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.749 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 28.0 mt -69.51 -13.07 62.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.163 179.804 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.83 -1.31 57.12 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.615 179.398 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.83 12.46 79.8 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.95 -0.568 . . . . 10.0 112.485 179.587 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -94.73 128.52 41.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.614 0.245 . . . . 10.0 110.401 -179.885 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.8 m -108.26 111.37 23.29 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 179.413 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mt -99.72 129.99 49.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.967 -0.56 . . . . 10.0 111.202 -178.244 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -94.71 129.37 41.65 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.276 -0.639 . . . . 10.0 109.276 178.457 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mp -131.85 153.17 50.46 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.946 0.403 . . . . 10.0 111.596 -179.229 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -94.83 118.05 31.13 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.405 -0.816 . . . . 10.0 109.807 179.571 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 14.0 m -137.54 165.91 25.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.602 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.549 ' O ' HD12 ' B' ' 56' ' ' LEU . 75.3 mm-40 -119.24 154.59 53.82 Favored Pre-proline 0 C--N 1.32 -0.702 0 N-CA-C 109.454 -0.573 . . . . 10.0 109.454 179.684 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -57.1 -29.5 83.45 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.319 2.013 . . . . 10.0 112.605 -179.713 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.88 4.64 51.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.151 -0.477 . . . . 10.0 111.561 -179.719 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -71.42 140.25 50.02 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.874 -0.417 . . . . 10.0 109.874 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.3 m -81.95 143.02 31.93 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.776 -179.405 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 50.8 mm -55.59 -35.61 39.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 116.255 -0.429 . . . . 10.0 111.207 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.52 -36.31 75.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.747 179.473 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.434 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 97.6 m-20 -65.73 -38.6 89.6 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 179.615 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 28.8 t -61.68 -42.09 92.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.749 -0.66 . . . . 10.0 109.915 179.492 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -58.56 -42.23 87.46 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.692 -0.685 . . . . 10.0 110.246 179.425 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.4 -39.59 85.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.872 179.741 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 98.9 mttt -63.42 -42.43 98.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.601 179.791 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 90.7 mt -64.94 -34.95 73.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.094 0.473 . . . . 10.0 110.175 179.298 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.413 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 61.2 tt0 -66.85 -29.79 69.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.689 179.741 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -76.55 -18.32 58.75 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.863 0.363 . . . . 10.0 111.061 179.864 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -98.18 -55.91 2.63 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.321 -0.399 . . . . 10.0 111.346 -179.616 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -85.81 -38.05 18.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.163 0.506 . . . . 10.0 111.467 -179.128 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 98.94 2.01 57.18 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.913 -0.66 . . . . 10.0 111.943 -178.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.9 mt -78.78 120.64 81.64 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 110.205 -0.295 . . . . 10.0 110.205 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.36 143.96 96.86 Favored 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 122.521 2.148 . . . . 10.0 111.918 179.183 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -55.72 -25.11 49.51 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.215 2.61 . . . . 10.0 113.037 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -68.5 -17.24 64.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.436 . . . . 10.0 111.079 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -114.52 9.58 16.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.389 -179.844 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -100.98 126.26 47.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.331 -179.317 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -123.36 106.09 10.38 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.143 -0.481 . . . . 10.0 109.793 178.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 37.5 mt -93.06 123.19 36.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.983 -178.898 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mp -119.39 133.98 64.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.479 -179.942 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -137.14 129.57 29.87 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.306 -0.627 . . . . 10.0 109.306 179.203 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.59 34.46 22.33 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.022 -0.535 . . . . 10.0 111.482 -179.754 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.63 26.24 70.19 Favored Glycine 0 C--N 1.332 0.33 0 CA-C-N 115.96 -0.564 . . . . 10.0 113.799 178.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -147.39 159.83 43.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.948 0.374 . . . . 10.0 110.702 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -83.14 154.67 24.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.934 0.397 . . . . 10.0 111.647 -179.491 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 28.0 mt -112.67 135.43 53.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.614 179.033 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.462 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 7.4 mt-10 -83.04 147.07 28.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.831 0.348 . . . . 10.0 110.288 179.816 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.62 -29.97 69.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.359 -179.192 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.11 37.7 3.3 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.796 -0.716 . . . . 10.0 112.693 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.462 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 33.3 mmt180 -134.07 166.25 23.18 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.052 -0.351 . . . . 10.0 110.052 179.436 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.554 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 35.6 p -106.89 171.82 7.16 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.871 178.845 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.549 HD12 ' O ' ' B' ' 18' ' ' GLU . 88.3 mt -68.48 -38.4 80.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.939 0.399 . . . . 10.0 110.693 179.835 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 24.6 m -69.25 -12.84 62.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.134 179.864 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.554 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.0 OUTLIER -66.61 -34.55 78.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.053 0.454 . . . . 10.0 110.544 179.705 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -108.83 19.5 19.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.19 -179.225 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 61.2 31.52 19.54 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.328 179.633 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 82.8 mt -78.88 117.66 24.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.016 0.436 . . . . 10.0 110.643 -179.519 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -102.5 -169.68 1.7 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.21 179.636 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -80.85 157.96 25.51 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.596 -0.52 . . . . 10.0 109.596 178.793 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 67.13 18.72 10.45 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.62 0.575 . . . . 10.0 111.112 -179.891 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.8 m -87.62 150.9 23.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.473 -0.33 . . . . 10.0 110.408 179.614 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.7 m -102.15 127.8 48.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.07 179.759 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mp -111.43 133.67 53.56 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 179.441 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.577 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 54.4 m80 -92.31 119.29 31.74 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.565 -0.289 . . . . 10.0 110.692 -179.511 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 44.8 tp -101.68 101.01 11.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.116 0.484 . . . . 10.0 110.031 179.061 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 53.5 t -83.12 127.73 39.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.584 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 49.5 mt -82.86 146.55 28.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.987 179.712 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.41 ' HG3' ' CG ' ' D' ' 491' ' ' ASP . 26.3 ttt180 . . . . . 0 C--N 1.322 -0.604 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.559 179.854 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 121.004 0.431 . . . . 10.0 110.525 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -64.15 -39.45 94.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.193 179.307 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 42.6 mt -67.61 -45.4 75.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.08 179.53 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -59.73 -43.42 94.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.465 179.371 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -65.39 -44.76 86.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.122 179.836 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 57.1 mtm -65.23 -43.41 91.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.57 -38.46 91.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.497 179.605 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -58.76 -38.62 78.84 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.889 179.136 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -68.38 -38.98 81.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.394 179.514 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 76.7 mt -68.15 -35.0 69.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.481 179.696 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -61.41 -28.36 69.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.115 -179.807 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -86.91 -6.66 58.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.048 0.451 . . . . 10.0 110.816 179.507 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 467' ' ' MET . . . . . 0.577 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 74.4 mmm -94.58 -39.21 10.49 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 179.172 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 468' ' ' PHE . . . . . 0.518 ' O ' HG13 ' D' ' 471' ' ' VAL . 0.9 OUTLIER -131.77 88.03 43.53 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.993 179.095 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -75.97 31.53 0.39 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.681 2.254 . . . . 10.0 112.93 -179.492 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 470' ' ' GLN . . . . . 0.402 ' H ' ' C ' ' D' ' 468' ' ' PHE . 11.3 pt20 -133.8 14.01 4.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.236 -179.765 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 471' ' ' VAL . . . . . 0.518 HG13 ' O ' ' D' ' 468' ' ' PHE . 11.4 p -119.41 135.92 24.29 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.178 -179.843 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 472' ' ' PRO . . . . . 0.434 ' O ' HG23 ' D' ' 476' ' ' VAL . 31.7 Cg_exo -60.82 116.48 3.38 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 122.569 2.179 . . . . 10.0 112.267 179.389 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -54.38 -41.21 68.95 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.798 -0.637 . . . . 10.0 112.282 -179.031 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -64.42 -25.69 68.13 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.681 0.276 . . . . 10.0 111.514 -179.461 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 24.0 mt -83.95 -31.18 25.71 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.682 -0.488 . . . . 10.0 109.682 179.184 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 476' ' ' VAL . . . . . 0.434 HG23 ' O ' ' D' ' 472' ' ' PRO . 58.2 t -66.14 -46.95 86.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 178.687 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.01 -25.66 68.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.45 -0.796 . . . . 10.0 110.394 179.351 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -68.54 -45.72 71.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.152 179.268 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -66.04 -34.08 77.26 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 179.433 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -61.26 -17.86 55.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.449 -0.796 . . . . 10.0 111.224 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -83.5 -18.93 36.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.889 0.376 . . . . 10.0 110.837 179.334 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -103.66 -47.18 4.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.63 -178.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 55.6 p -87.11 -50.02 6.91 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.636 -0.256 . . . . 10.0 111.49 -179.041 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 20.1 mtt180 66.53 27.38 9.7 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.099 -0.501 . . . . 10.0 111.237 179.838 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 3.9 t -147.47 128.63 14.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.939 0.399 . . . . 10.0 110.851 -179.67 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 19.8 m -66.7 -24.13 32.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.844 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -75.45 -11.88 60.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.29 -179.78 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 33.4 mt -109.04 -48.38 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.387 -0.369 . . . . 10.0 110.397 179.475 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 489' ' ' THR . . . . . 0.542 ' O ' HG13 ' D' ' 493' ' ' ILE . 35.4 m -55.76 -59.29 5.07 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.39 -0.368 . . . . 10.0 111.657 -179.553 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -35.02 74.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.482 -179.229 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 491' ' ' ASP . . . . . 0.41 ' CG ' ' HG3' ' B' ' 72' ' ' ARG . 0.0 OUTLIER -68.33 -52.44 33.36 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.646 -0.502 . . . . 10.0 109.646 178.776 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' D' D ' 492' ' ' ASN . . . . . 0.41 ' HB3' ' CB ' ' D' ' 497' ' ' ARG . 1.1 m-80 -60.81 -20.14 60.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.21 -0.905 . . . . 10.0 111.74 -179.845 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 493' ' ' ILE . . . . . 0.542 HG13 ' O ' ' D' ' 489' ' ' THR . 34.3 mt -64.7 -42.45 95.07 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 N-CA-C 109.384 -0.599 . . . . 10.0 109.384 178.116 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 5.6 mt -77.91 -12.93 60.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.204 179.56 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -84.82 -56.0 3.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.848 -0.614 . . . . 10.0 110.636 179.639 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 140.0 26.91 0.23 Allowed Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.629 -0.796 . . . . 10.0 112.732 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 497' ' ' ARG . . . . . 0.41 ' CB ' ' HB3' ' D' ' 492' ' ' ASN . 22.7 tpp180 -79.82 -53.41 6.81 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.59 -0.522 . . . . 10.0 109.59 179.189 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 4.5 mp -86.94 124.9 40.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.403 179.394 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 . . . . . 0 C--N 1.325 -0.489 0 CA-C-O 121.084 0.468 . . . . 10.0 111.164 -179.322 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.482 1.135 0 CA-C-O 120.624 0.25 . . . . 10.0 110.524 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -102.15 143.54 31.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.819 0.342 . . . . 10.0 111.383 -179.468 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.5 pt -132.61 163.0 38.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 177.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.508 ' O ' ' HA ' ' A' ' 66' ' ' THR . 47.3 m-85 -118.9 118.66 32.14 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.82 0.343 . . . . 10.0 110.898 -179.431 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.7 t -101.9 114.98 42.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.817 -0.438 . . . . 10.0 109.817 179.294 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -99.8 128.71 45.88 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.105 0.478 . . . . 10.0 110.69 -179.643 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.3 p -96.54 168.79 10.32 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.656 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.2 mt -64.45 -21.27 66.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.182 0.515 . . . . 10.0 110.271 179.106 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.82 -15.23 60.75 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.194 -0.912 . . . . 10.0 111.087 179.608 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.71 -1.96 64.14 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.845 -0.693 . . . . 10.0 111.714 -179.109 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -80.69 125.56 30.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.669 0.271 . . . . 10.0 110.316 -179.799 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -105.19 115.96 31.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.418 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.9 mt -103.41 128.94 56.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.728 -179.392 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.3 m -89.02 125.81 35.15 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.6 -0.518 . . . . 10.0 109.6 178.69 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.3 mt -123.17 146.99 47.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.871 0.367 . . . . 10.0 111.469 -179.28 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -97.71 112.72 24.49 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.684 178.851 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.8 m -135.76 -178.94 2.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.681 -0.691 . . . . 10.0 110.377 -179.541 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.467 ' O ' HD11 ' A' ' 56' ' ' LEU . 15.8 mm-40 -131.86 156.95 79.47 Favored Pre-proline 0 C--N 1.319 -0.722 0 N-CA-C 109.151 -0.685 . . . . 10.0 109.151 179.285 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.97 -36.93 93.62 Favored 'Trans proline' 0 CA--C 1.528 0.214 0 C-N-CA 122.081 1.854 . . . . 10.0 112.615 -179.768 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.04 15.9 4.67 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.234 0.457 . . . . 10.0 112.234 -179.117 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -81.7 146.56 29.95 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.196 -0.298 . . . . 10.0 110.196 179.597 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.409 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -89.95 144.81 25.6 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.809 -179.506 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.8 mm -57.7 -40.0 73.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.871 0.367 . . . . 10.0 110.8 179.715 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -62.1 -36.31 81.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.269 179.187 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -69.32 -36.96 77.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.723 179.5 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 22' ' ' THR . 95.5 t -64.72 -38.53 82.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.527 -0.76 . . . . 10.0 109.827 178.917 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.404 ' HD2' ' OD2' ' A' ' 52' ' ' ASP . 86.5 mttt -59.21 -41.17 87.95 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.477 178.819 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.44 -34.01 77.21 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.326 179.362 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -68.36 -37.87 80.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.893 -0.594 . . . . 10.0 109.846 179.091 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 88.1 mt -70.43 -37.03 69.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.284 -0.635 . . . . 10.0 109.284 178.514 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.424 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 64.6 tt0 -67.04 -27.48 67.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.729 -0.669 . . . . 10.0 109.847 178.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -69.67 -40.26 76.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.051 178.86 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -78.81 -61.93 1.86 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.822 -0.626 . . . . 10.0 111.796 -179.257 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -79.34 -47.66 15.42 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -177.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 108.68 -9.54 34.88 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.62 -0.8 . . . . 10.0 111.814 -179.05 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.0 mt -68.63 123.98 89.03 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.761 -0.219 . . . . 10.0 111.022 -179.746 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.7 147.78 58.45 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 123.097 2.531 . . . . 10.0 112.958 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -60.05 -21.4 65.16 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.093 2.529 . . . . 10.0 112.861 -179.608 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.61 -25.68 64.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.06 -179.66 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -103.1 6.76 38.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.67 -179.266 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -99.86 118.65 36.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.81 -179.198 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -122.25 97.71 5.6 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 177.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.1 mt -85.39 132.73 34.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.009 -0.541 . . . . 10.0 111.49 -179.023 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mt -129.48 135.38 61.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.973 179.719 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -131.37 124.82 31.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.295 -0.411 . . . . 10.0 110.375 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.14 11.94 4.71 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 123.71 0.631 . . . . 10.0 112.333 179.041 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.51 -11.42 35.96 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.796 -0.716 . . . . 10.0 112.672 179.742 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -102.73 142.99 32.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.787 0.293 . . . . 10.0 110.582 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -82.26 137.22 34.92 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.411 -0.588 . . . . 10.0 109.411 179.127 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.7 mt -85.82 138.12 32.29 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.818 -179.362 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -92.46 135.24 34.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.05 -0.523 . . . . 10.0 109.895 178.796 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.404 ' OD2' ' HD2' ' A' ' 27' ' ' LYS . 1.9 m-20 -53.7 -36.51 62.3 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.822 0.675 . . . . 10.0 112.822 -178.913 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.38 25.62 7.91 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.588 -0.815 . . . . 10.0 113.994 -178.575 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 73.2 mmt-85 -124.49 163.91 20.85 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 117.397 0.598 . . . . 10.0 110.671 179.826 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.3 p -104.16 170.4 7.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.526 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.467 HD11 ' O ' ' A' ' 18' ' ' GLU . 91.2 mt -67.26 -30.23 70.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.984 0.421 . . . . 10.0 110.361 179.26 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -23.79 64.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.206 179.523 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -68.68 -23.84 64.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.216 0.531 . . . . 10.0 110.704 -179.7 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -111.03 5.64 20.39 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.39 179.1 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 55.08 43.24 29.95 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 114.764 -1.107 . . . . 10.0 111.308 -179.85 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 68.4 mt -82.94 117.21 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.866 -0.606 . . . . 10.0 109.976 179.69 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -96.02 -175.91 3.53 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.283 179.738 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -71.6 156.54 39.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.8 0.333 . . . . 10.0 111.133 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 63.98 22.98 13.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.575 -0.739 . . . . 10.0 112.201 179.083 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.3 m -93.96 143.85 25.98 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.557 -0.535 . . . . 10.0 109.557 178.647 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.508 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 30.1 m -98.07 126.03 43.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.001 0.429 . . . . 10.0 111.528 -179.345 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -106.87 142.27 36.77 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.801 -0.814 . . . . 10.0 108.801 179.052 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -97.53 128.95 44.69 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.646 0.26 . . . . 10.0 110.357 -179.57 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.5 tp -111.67 108.87 18.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.007 0.432 . . . . 10.0 110.929 179.801 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.6 t -98.14 130.15 47.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.903 -0.589 . . . . 10.0 109.496 178.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.7 mt . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.492 -179.737 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.485 1.28 0 CA-C-O 120.807 0.337 . . . . 10.0 110.256 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 -100.46 135.52 41.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.181 0.515 . . . . 10.0 111.595 -179.231 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 24.9 pt -120.86 163.26 18.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.432 -0.804 . . . . 10.0 109.672 178.687 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.493 ' O ' ' HA ' ' B' ' 66' ' ' THR . 72.7 m-85 -116.65 116.46 27.59 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.773 0.32 . . . . 10.0 111.034 -179.506 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 67.2 t -101.82 114.04 39.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.511 -0.551 . . . . 10.0 109.511 179.145 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -97.56 125.45 42.28 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.389 -0.369 . . . . 10.0 110.481 -179.041 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 19.3 p -101.12 163.69 12.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.799 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 86.6 mt -66.26 -19.58 65.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.311 179.567 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.67 2.31 26.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.024 179.666 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.67 24.62 64.57 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 121.091 -0.576 . . . . 10.0 112.416 179.651 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -108.16 121.01 43.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.798 0.333 . . . . 10.0 110.346 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -100.37 107.43 19.19 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.17 -0.468 . . . . 10.0 109.925 179.449 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 7.3 mt -97.79 136.25 29.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.019 -178.665 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.63 144.41 27.32 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.524 -0.547 . . . . 10.0 109.524 178.946 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 60.2 mt -140.34 144.24 36.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.738 0.304 . . . . 10.0 111.586 -179.306 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -94.93 99.5 11.52 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.977 -0.749 . . . . 10.0 108.977 178.567 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 17.0 m -121.09 164.35 17.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.764 -179.122 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.4 ' O ' HD12 ' B' ' 56' ' ' LEU . 23.1 mm-40 -116.89 156.96 47.49 Favored Pre-proline 0 C--N 1.316 -0.867 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.135 -179.668 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.55 -27.01 81.03 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.301 2.001 . . . . 10.0 111.906 179.382 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.29 5.88 50.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.729 -0.669 . . . . 10.0 111.606 -179.612 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -78.54 144.22 35.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.968 0.413 . . . . 10.0 110.426 -179.666 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.409 ' O ' HG21 ' B' ' 26' ' ' VAL . 0.2 OUTLIER -92.98 146.95 23.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.761 -179.128 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 46.7 mm -55.34 -37.49 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.413 -179.442 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -58.28 -43.5 88.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.711 179.43 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -69.58 -35.83 75.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.747 -179.821 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.409 HG21 ' O ' ' B' ' 22' ' ' THR . 81.1 t -61.38 -43.65 97.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.275 179.636 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -64.45 -32.75 74.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.822 179.7 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.18 -33.73 76.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 10.0 110.135 179.152 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -67.48 -34.75 77.79 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.288 179.292 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 59.5 mt -72.14 -33.13 45.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.558 178.891 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -68.3 -32.35 72.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.424 -0.807 . . . . 10.0 110.208 179.262 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -72.1 -36.45 69.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.92 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -80.39 -59.83 2.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.165 -0.471 . . . . 10.0 112.219 -179.146 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -86.59 -47.14 9.46 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.387 0.514 . . . . 10.0 112.387 -178.067 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.09 21.73 7.58 Favored Glycine 0 C--O 1.228 -0.237 0 C-N-CA 120.285 -0.959 . . . . 10.0 112.769 -179.743 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 57.8 mt -94.67 124.9 53.46 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.973 -0.38 . . . . 10.0 109.973 179.692 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.28 131.59 45.92 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.547 2.165 . . . . 10.0 112.251 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.81 -21.2 31.82 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.34 2.693 . . . . 10.0 113.175 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -71.37 -32.73 68.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.089 0.471 . . . . 10.0 110.243 179.547 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -89.66 -11.21 43.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.666 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -80.32 97.68 7.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.774 179.795 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.496 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 41.3 mtp180 -97.41 90.56 5.11 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 179.155 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 25.6 mt -76.76 130.27 37.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.652 -0.703 . . . . 10.0 111.653 -179.361 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mp -124.12 142.45 40.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.088 179.625 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -134.66 111.24 9.84 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.355 -0.609 . . . . 10.0 109.355 178.653 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.13 17.82 11.2 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.718 -0.674 . . . . 10.0 111.8 179.767 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.59 -3.99 42.96 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.675 -0.774 . . . . 10.0 112.795 179.603 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -110.6 140.49 44.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.584 0.192 . . . . 10.0 110.534 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.02 139.49 40.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.945 0.402 . . . . 10.0 110.517 179.513 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 62.1 mt -84.4 127.34 33.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.391 179.757 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.527 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 34.2 mt-10 -80.41 149.55 30.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.838 0.351 . . . . 10.0 110.299 179.439 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.67 -28.74 65.01 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.919 -0.582 . . . . 10.0 112.113 -178.198 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -94.02 31.21 6.78 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.935 -0.65 . . . . 10.0 113.417 -178.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.527 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 16.7 mmt180 -130.55 160.55 33.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 117.066 0.433 . . . . 10.0 109.984 179.565 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.48 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 56.7 p -105.04 171.11 7.49 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.096 -0.335 . . . . 10.0 110.096 179.348 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.4 HD12 ' O ' ' B' ' 18' ' ' GLU . 40.3 mt -64.28 -35.57 81.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.857 0.36 . . . . 10.0 111.167 -179.653 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 16.8 m -65.26 -22.83 66.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.098 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.48 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.8 m-20 -65.63 -30.28 70.98 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.196 -0.457 . . . . 10.0 111.295 -179.424 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -106.19 17.5 23.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.908 -178.549 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 64.01 22.57 12.99 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 120.712 0.291 . . . . 10.0 111.646 179.298 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 76.1 mt -77.28 128.14 38.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.885 0.374 . . . . 10.0 110.667 -179.559 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -128.2 -161.9 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.07 -0.513 . . . . 10.0 110.17 -179.429 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -69.49 148.57 49.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.642 0.258 . . . . 10.0 111.08 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 66.2 9.06 6.02 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.529 -0.759 . . . . 10.0 112.553 178.743 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 55.0 m -77.11 134.92 38.58 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.159 -0.311 . . . . 10.0 110.159 179.511 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.493 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 17.3 m -93.47 131.47 38.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.131 -179.816 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.8 mp -110.49 144.86 38.67 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.717 -0.674 . . . . 10.0 109.906 179.839 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.565 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 26.4 m80 -96.23 135.85 37.49 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.111 -0.495 . . . . 10.0 109.699 179.718 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 51.9 tp -126.14 112.45 15.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.289 0.566 . . . . 10.0 111.454 -179.614 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.496 ' HB ' ' HB2' ' B' ' 42' ' ' ARG . 23.0 t -83.64 122.09 37.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.575 -0.739 . . . . 10.0 109.858 179.119 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 10.5 mt -86.64 109.42 19.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.181 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.623 0 CA-C-O 120.911 0.386 . . . . 10.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.529 0.159 0 N-CA-C 112.154 0.427 . . . . 10.0 112.154 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 42.7 mm-40 -89.18 -32.28 17.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.914 0.388 . . . . 10.0 110.747 -179.879 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 64.6 mt -60.67 -48.6 81.05 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.822 -0.626 . . . . 10.0 111.17 -179.727 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -65.4 -36.83 85.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.612 -0.267 . . . . 10.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -66.62 -46.33 76.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.011 -179.87 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 74.0 mtm -64.41 -42.07 96.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.521 179.788 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -69.14 -30.95 69.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.237 -179.77 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -57.12 -44.98 83.8 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.553 -0.294 . . . . 10.0 111.322 -179.838 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 463' ' ' GLN . . . . . 0.432 ' NE2' ' HA ' ' D' ' 463' ' ' GLN . 4.6 tp60 -64.5 -34.54 78.45 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.739 -0.384 . . . . 10.0 110.872 -179.299 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 71.8 mt -69.41 -38.8 77.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.57 -0.53 . . . . 10.0 109.57 178.896 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -62.06 -35.7 79.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.283 -0.871 . . . . 10.0 111.007 179.697 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -72.12 -22.03 61.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.764 179.651 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 467' ' ' MET . . . . . 0.565 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 6.0 mtm -91.2 -26.66 18.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.16 -179.261 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 468' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -121.56 82.44 40.48 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 110.107 -0.331 . . . . 10.0 110.107 179.376 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -76.07 35.77 0.46 Allowed 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.939 2.426 . . . . 10.0 112.968 -179.075 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -150.5 13.21 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 10.0 111.177 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 471' ' ' VAL . . . . . . . . . . . . . 8.3 p -118.29 132.8 23.61 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.584 -0.28 . . . . 10.0 110.577 -179.754 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 472' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -58.87 126.71 21.92 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.44 2.093 . . . . 10.0 112.095 178.455 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -56.77 -37.23 70.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.687 -0.688 . . . . 10.0 112.166 -178.772 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 19.3 p-80 -65.96 -26.44 67.57 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.987 -0.285 . . . . 10.0 111.432 -179.411 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 475' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' D' ' 478' ' ' GLN . 25.7 mt -77.18 -32.01 55.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.365 . . . . 10.0 110.187 179.436 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 23.2 t -69.17 -41.1 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.556 179.288 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.98 -26.43 68.57 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.476 -0.784 . . . . 10.0 110.571 179.21 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 478' ' ' GLN . . . . . 0.417 ' HB3' ' O ' ' D' ' 475' ' ' LEU . 0.0 OUTLIER -64.17 -53.11 54.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.585 179.668 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -69.92 -34.75 73.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.255 -0.429 . . . . 10.0 110.793 -179.166 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.67 -32.32 67.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.48 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -88.04 -7.42 57.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.748 0.309 . . . . 10.0 111.239 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -100.07 -48.36 4.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.574 -0.285 . . . . 10.0 111.028 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 40.5 p -95.36 -35.43 11.77 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.449 -0.342 . . . . 10.0 111.307 -179.325 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.24 27.88 15.65 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.65 -0.705 . . . . 10.0 111.382 179.904 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 4.4 t -142.9 118.66 10.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.732 -0.667 . . . . 10.0 109.85 -179.847 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 33.1 m -59.83 -31.27 47.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.986 -179.41 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -63.89 -47.67 79.72 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.787 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 53.9 mt -73.25 -39.2 55.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.901 -179.809 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 489' ' ' THR . . . . . 0.419 ' O ' HG13 ' D' ' 493' ' ' ILE . 95.5 m -60.94 -47.57 85.8 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.048 0.388 . . . . 10.0 112.048 -179.216 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 4.5 p -64.12 -42.42 96.85 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.791 -0.364 . . . . 10.0 110.856 -179.601 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -65.51 -34.61 78.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.136 -0.484 . . . . 10.0 109.932 179.154 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 492' ' ' ASN . . . . . 0.406 ' HB3' ' HB3' ' D' ' 497' ' ' ARG . 35.4 m-20 -62.1 -37.8 86.44 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 115.385 -0.825 . . . . 10.0 110.748 179.075 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 493' ' ' ILE . . . . . 0.419 HG13 ' O ' ' D' ' 489' ' ' THR . 71.2 mt -69.19 -39.73 79.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.34 0.59 . . . . 10.0 109.654 178.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.14 36.07 0.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.346 -0.843 . . . . 10.0 110.969 179.617 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -149.78 -65.53 0.21 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.537 179.605 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 145.17 39.47 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.744 -0.741 . . . . 10.0 113.074 179.528 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 497' ' ' ARG . . . . . 0.406 ' HB3' ' HB3' ' D' ' 492' ' ' ASN . 13.3 tpp180 -89.02 -35.55 16.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.233 0.54 . . . . 10.0 110.137 179.302 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 52.9 mt -96.61 137.16 25.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.614 -0.721 . . . . 10.0 109.549 179.662 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 . . . . . 0 C--N 1.324 -0.537 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.274 -179.738 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 110.168 -0.308 . . . . 10.0 110.168 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -120.25 141.73 49.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.553 0.216 . . . . 10.0 110.933 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.1 pt -126.64 155.02 37.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.496 -0.557 . . . . 10.0 109.496 178.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.442 ' O ' ' HA ' ' A' ' 66' ' ' THR . 93.2 m-85 -115.2 122.41 45.95 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.731 0.3 . . . . 10.0 111.075 -179.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.8 t -110.05 125.1 67.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 178.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.9 tttp -111.26 130.52 55.63 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.883 0.373 . . . . 10.0 111.292 -178.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.36 173.12 8.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.627 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 mt -64.26 -24.0 67.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.221 0.534 . . . . 10.0 111.221 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.32 -3.61 46.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.96 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.93 -17.06 60.03 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.763 -0.732 . . . . 10.0 111.536 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.0 tttp -57.7 135.11 56.71 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 122.961 0.504 . . . . 10.0 110.568 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -127.41 125.92 41.5 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.711 0.291 . . . . 10.0 110.627 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.6 pt -116.21 148.18 19.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.997 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -104.28 125.56 50.64 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.422 -0.585 . . . . 10.0 109.422 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -115.76 135.06 54.39 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.953 0.406 . . . . 10.0 111.712 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -85.3 113.52 21.69 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.413 -0.812 . . . . 10.0 109.369 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.9 m -142.66 176.18 3.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.099 0.476 . . . . 10.0 111.425 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.504 ' O ' HD11 ' A' ' 56' ' ' LEU . 40.3 mm-40 -134.64 157.78 76.51 Favored Pre-proline 0 C--N 1.321 -0.669 0 N-CA-C 108.604 -0.887 . . . . 10.0 108.604 179.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -50.72 -36.33 50.87 Favored 'Trans proline' 0 CA--C 1.533 0.445 0 C-N-CA 122.324 2.016 . . . . 10.0 112.545 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.88 -6.52 47.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.75 -0.659 . . . . 10.0 112.482 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.53 139.83 45.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.788 0.328 . . . . 10.0 110.128 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.432 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -91.29 148.05 22.61 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.963 -179.388 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 51.5 mm -57.42 -38.86 65.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.989 0.423 . . . . 10.0 110.298 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.461 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 35.4 tt0 -62.87 -34.91 78.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.22 178.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.472 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 54.7 t30 -75.27 -38.94 60.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.205 -0.452 . . . . 10.0 109.793 179.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 22' ' ' THR . 96.6 t -63.18 -45.28 98.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.682 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 14.8 ptmt -66.53 -28.07 68.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.98 0.419 . . . . 10.0 110.443 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.08 -33.09 73.89 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.589 -0.523 . . . . 10.0 109.589 178.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 67.8 mttt -66.64 -41.55 88.12 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.291 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 31.2 mt -66.84 -32.16 56.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.375 0.607 . . . . 10.0 109.63 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -64.56 -34.71 78.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.321 -0.854 . . . . 10.0 110.74 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -88.74 -32.0 18.14 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.488 -0.323 . . . . 10.0 111.681 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -80.01 -47.93 14.14 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.394 0.516 . . . . 10.0 112.394 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -98.76 -21.41 16.39 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.909 0.337 . . . . 10.0 111.909 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.1 14.52 64.29 Favored Glycine 0 CA--C 1.517 0.172 0 C-N-CA 120.677 -0.773 . . . . 10.0 113.113 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.1 mt -87.79 120.9 71.05 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 122.847 -0.208 . . . . 10.0 110.772 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.06 138.31 85.29 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.721 2.281 . . . . 10.0 112.535 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_exo -60.33 -23.16 73.67 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.898 2.398 . . . . 10.0 112.487 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -69.1 -19.53 64.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.951 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.464 ' O ' ' HA ' ' A' ' 71' ' ' LEU . 85.6 mt-30 -114.16 10.69 17.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.064 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -98.1 106.54 18.84 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.013 0.435 . . . . 10.0 111.532 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -109.53 103.74 12.67 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.8 mt -91.82 118.24 30.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.982 0.42 . . . . 10.0 111.407 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mp -115.04 133.49 61.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.339 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -134.88 121.46 20.62 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.581 -0.526 . . . . 10.0 109.581 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.97 33.43 19.78 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.616 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.25 -21.84 15.15 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.901 -0.666 . . . . 10.0 112.92 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -94.2 147.44 23.17 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.258 -0.275 . . . . 10.0 110.258 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -92.66 137.06 32.69 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.709 -0.478 . . . . 10.0 109.709 179.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.452 HD23 ' CD2' ' A' ' 59' ' ' TYR . 18.7 mt -88.89 144.66 26.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.479 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.407 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 40.2 mt-10 -91.22 151.76 20.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.004 -0.369 . . . . 10.0 110.004 179.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.9 -50.71 72.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.047 -0.524 . . . . 10.0 112.234 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.16 49.67 4.03 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 121.074 -0.584 . . . . 10.0 113.925 -178.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.418 ' HG3' ' OH ' ' A' ' 59' ' ' TYR . 21.9 mmt180 -138.82 156.9 46.95 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.724 -0.473 . . . . 10.0 109.724 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.516 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 45.4 p -98.06 171.73 8.07 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.919 -0.401 . . . . 10.0 109.919 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.504 HD11 ' O ' ' A' ' 18' ' ' GLU . 81.7 mt -70.05 -31.49 69.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.881 0.372 . . . . 10.0 110.35 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -21.67 60.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.367 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.516 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.7 OUTLIER -60.52 -30.91 70.04 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.947 179.693 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.452 ' CD2' HD23 ' A' ' 50' ' ' LEU . 74.8 m-85 -111.9 8.51 20.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.356 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 57.8 t30 57.81 43.14 22.25 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.406 -0.816 . . . . 10.0 111.645 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 76.4 mt -77.81 119.05 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.481 -0.563 . . . . 10.0 109.481 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -91.95 174.83 7.13 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.663 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -68.29 151.79 46.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.294 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 64.29 30.68 13.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.687 -0.688 . . . . 10.0 111.827 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.2 m -92.22 143.94 25.91 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.77 -0.456 . . . . 10.0 109.77 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 1.7 m -99.31 124.05 44.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.067 0.461 . . . . 10.0 111.482 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -110.9 142.55 42.82 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.222 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -98.66 124.82 43.71 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.765 0.317 . . . . 10.0 110.492 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.0 tp -106.13 108.78 20.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.141 0.496 . . . . 10.0 111.263 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.5 t -103.86 139.1 25.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.8 -0.637 . . . . 10.0 109.289 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.464 ' HA ' ' O ' ' A' ' 40' ' ' GLN . 55.1 mt -92.15 161.54 14.7 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.159 0.504 . . . . 10.0 111.212 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -125.68 89.01 2.96 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.028 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.24 108.35 20.49 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.785 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -123.69 123.78 41.29 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.71 26.65 29.06 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.662 -0.78 . . . . 10.0 111.233 -178.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.468 ' C ' ' HZ2' ' B' ' 48' ' ' LYS . . . . . . . . 0 N--CA 1.444 -0.814 0 CA-C-O 118.869 -0.962 . . . . 10.0 111.007 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ptt? . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 109.921 -0.4 . . . . 10.0 109.921 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -110.59 138.47 46.93 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.42 -0.512 . . . . 10.0 110.703 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 30.2 pt -121.23 168.35 13.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.903 -0.589 . . . . 10.0 109.944 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -124.89 118.63 26.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.199 0.523 . . . . 10.0 111.542 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 43.7 t -98.01 122.56 49.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.663 -0.699 . . . . 10.0 109.472 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -101.34 125.65 48.0 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.157 0.503 . . . . 10.0 111.006 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.44 157.58 16.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.508 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 47.9 mt -61.66 -18.17 58.43 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.003 0.371 . . . . 10.0 112.003 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.53 -4.42 59.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.814 0.34 . . . . 10.0 111.5 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.56 10.02 59.56 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.972 -0.632 . . . . 10.0 112.027 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 24.3 tttp -83.42 139.5 32.93 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.359 -0.237 . . . . 10.0 110.359 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -116.37 114.32 24.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.475 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 7.9 mt -103.18 130.67 53.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.526 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.4 m -98.42 127.2 44.25 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.823 -0.436 . . . . 10.0 109.823 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 33.2 mt -126.23 134.07 51.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.811 0.339 . . . . 10.0 111.302 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -95.02 109.42 21.45 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.785 -0.82 . . . . 10.0 108.785 178.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.432 HG11 ' NZ ' ' B' ' 29' ' ' LYS . 30.4 m -136.22 -179.93 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.035 -0.53 . . . . 10.0 111.301 -178.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -127.46 155.21 77.08 Favored Pre-proline 0 C--N 1.317 -0.809 0 N-CA-C 109.01 -0.737 . . . . 10.0 109.01 178.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -56.6 -23.87 50.94 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.49 2.127 . . . . 10.0 112.566 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -85.47 6.04 28.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.036 -0.529 . . . . 10.0 112.009 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -83.19 153.22 24.86 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 120.863 0.363 . . . . 10.0 110.402 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.421 ' O ' HG21 ' B' ' 26' ' ' VAL . 4.2 p -94.86 151.71 18.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.348 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 40.8 mm -59.43 -36.64 65.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.226 0.536 . . . . 10.0 110.168 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -42.7 99.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.617 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -68.52 -38.25 80.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.841 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.43 ' O ' HG13 ' B' ' 30' ' ' ILE . 98.3 t -59.44 -44.94 93.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.888 0.375 . . . . 10.0 110.25 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -67.82 -31.16 70.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.792 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.77 -34.12 76.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.146 0.498 . . . . 10.0 109.791 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.432 ' NZ ' HG11 ' B' ' 17' ' ' VAL . 98.1 mttt -69.85 -32.27 70.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.004 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.43 HG13 ' O ' ' B' ' 26' ' ' VAL . 56.9 mt -69.51 -31.07 47.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -71.84 -24.42 61.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.916 -0.584 . . . . 10.0 109.613 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -77.65 -31.23 52.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.545 -0.752 . . . . 10.0 110.846 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 69.2 mttt -95.58 -45.13 7.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.449 -0.341 . . . . 10.0 111.804 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -96.16 -51.4 4.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.793 0.33 . . . . 10.0 111.534 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.61 -6.49 26.2 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.584 -0.817 . . . . 10.0 112.395 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 26.5 mt -63.95 128.19 92.66 Favored Pre-proline 0 C--N 1.327 -0.394 0 N-CA-C 110.689 -0.115 . . . . 10.0 110.689 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -61.59 131.38 35.49 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.5 2.133 . . . . 10.0 111.797 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.16 -22.31 55.84 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.011 2.474 . . . . 10.0 112.975 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -66.79 -33.42 75.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.3 0.571 . . . . 10.0 110.814 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -98.07 6.77 47.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.549 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -103.22 109.64 21.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.428 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -104.45 107.65 18.69 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.179 -0.674 . . . . 10.0 109.179 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 18.1 mt -84.79 119.85 25.77 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.078 0.466 . . . . 10.0 110.911 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -115.37 142.68 27.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.512 -0.767 . . . . 10.0 109.432 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -132.43 110.79 10.77 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.044 -0.525 . . . . 10.0 109.718 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.0 27.57 16.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.732 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.17 -12.74 62.02 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.832 -0.699 . . . . 10.0 113.38 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.468 ' HZ2' ' C ' ' A' ' 76' ' ' GLY . 0.5 OUTLIER -97.5 143.32 28.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 117.011 0.406 . . . . 10.0 109.982 -179.663 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -86.26 135.54 33.51 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.32 -0.252 . . . . 10.0 110.32 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 27.3 mt -91.27 120.11 31.89 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.99 -0.374 . . . . 10.0 109.99 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.462 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 28.0 mt-10 -68.64 136.96 53.78 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 179.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -54.36 -42.44 70.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.987 -0.552 . . . . 10.0 112.041 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.05 53.89 4.24 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.817 -0.706 . . . . 10.0 113.21 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.462 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 31.2 mmt180 -141.4 174.04 10.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.778 0.289 . . . . 10.0 110.293 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 41.1 p -115.15 172.69 6.92 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.551 -0.537 . . . . 10.0 109.551 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 84.1 mt -69.8 -30.6 68.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.985 0.422 . . . . 10.0 110.477 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.51 -20.77 64.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.909 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -70.37 -32.74 70.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.765 0.317 . . . . 10.0 111.713 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -109.59 12.24 24.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.471 -0.331 . . . . 10.0 110.771 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 60.68 31.82 20.2 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.627 -0.715 . . . . 10.0 111.592 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 66.0 mt -72.15 112.98 8.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.06 0.457 . . . . 10.0 109.93 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -97.82 -167.48 1.53 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.62 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.5 155.78 33.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.814 0.34 . . . . 10.0 110.957 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 59.26 17.99 6.23 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.595 -0.729 . . . . 10.0 112.833 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 10.6 m -78.89 148.17 32.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.597 0.237 . . . . 10.0 110.467 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 18.0 m -88.68 119.13 28.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.131 0.491 . . . . 10.0 111.358 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -102.08 124.47 47.74 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.279 -0.638 . . . . 10.0 109.279 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.438 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 29.5 m80 -89.04 124.5 34.34 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.574 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 36.9 tp -100.12 107.37 19.24 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.873 0.368 . . . . 10.0 110.433 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 70.6 t -101.13 140.45 19.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.517 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 12.2 mt -100.28 165.62 11.38 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.863 -0.421 . . . . 10.0 109.863 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.551 ' HG3' ' OD1' ' D' ' 491' ' ' ASP . 14.6 ttt180 -152.82 130.28 11.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.714 -0.221 . . . . 10.0 110.691 -179.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -139.96 94.86 2.81 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.866 0.365 . . . . 10.0 110.584 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -93.91 105.46 17.47 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.736 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.45 27.33 5.02 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.826 -0.702 . . . . 10.0 112.16 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.986 -0.897 . . . . 10.0 111.137 -179.898 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 120.357 0.122 . . . . 10.0 110.857 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 62.44 15.52 7.85 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.096 0.558 . . . . 10.0 111.963 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -51.39 44.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.059 0.457 . . . . 10.0 111.124 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -69.0 -34.18 74.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.805 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 97.7 mt -63.87 -46.58 84.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.543 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -63.53 -42.78 98.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.822 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.23 -40.39 93.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.547 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 74.3 mtm -72.99 -41.17 64.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.817 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.61 -45.09 91.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.945 -0.57 . . . . 10.0 111.221 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -58.73 -36.14 73.83 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.605 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 463' ' ' GLN . . . . . 0.496 ' O ' ' HG2' ' D' ' 467' ' ' MET . 24.5 tp60 -61.59 -42.08 98.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.196 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 74.6 mt -72.44 -32.53 42.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.149 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 38.5 tp60 -61.24 -30.6 70.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.202 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -76.32 -29.68 57.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.938 -0.573 . . . . 10.0 110.287 178.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 467' ' ' MET . . . . . 0.496 ' HG2' ' O ' ' D' ' 463' ' ' GLN . 31.1 mmm -76.36 -44.11 37.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.227 0.537 . . . . 10.0 110.202 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 468' ' ' PHE . . . . . 0.442 ' O ' HG13 ' D' ' 471' ' ' VAL . 5.1 m-85 -116.91 92.55 39.12 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.61 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -78.26 33.48 0.47 Allowed 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.776 2.317 . . . . 10.0 112.369 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -152.71 29.95 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.951 -179.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 471' ' ' VAL . . . . . 0.442 HG13 ' O ' ' D' ' 468' ' ' PHE . 12.8 p -125.43 133.71 25.12 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.384 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 472' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' D' ' 471' ' ' VAL . 53.1 Cg_exo -58.3 119.36 6.57 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.635 2.223 . . . . 10.0 112.237 179.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -53.05 -40.41 63.96 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.449 -0.796 . . . . 10.0 112.681 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 44.9 p-80 -68.62 -27.56 66.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.587 0.232 . . . . 10.0 111.601 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 475' ' ' LEU . . . . . 0.43 ' O ' ' HB3' ' D' ' 478' ' ' GLN . 24.1 mt -77.67 -30.52 52.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.896 0.379 . . . . 10.0 110.0 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 476' ' ' VAL . . . . . 0.403 HG23 ' O ' ' D' ' 472' ' ' PRO . 44.9 t -66.99 -46.75 84.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.461 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . 0.416 ' O ' ' HG3' ' D' ' 481' ' ' GLN . 23.8 mt -63.67 -24.62 67.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.792 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 478' ' ' GLN . . . . . 0.43 ' HB3' ' O ' ' D' ' 475' ' ' LEU . 1.9 tt0 -66.44 -55.74 14.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.985 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -67.17 -29.47 69.17 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.537 -0.302 . . . . 10.0 110.605 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.05 -24.69 66.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.299 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 481' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' D' ' 477' ' ' LEU . 72.8 mt-30 -89.64 -17.38 28.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.036 0.446 . . . . 10.0 110.533 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -92.31 -59.14 2.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.846 -0.616 . . . . 10.0 111.1 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 40.8 p -82.18 -42.93 18.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.732 0.301 . . . . 10.0 110.781 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 15.4 mtt180 63.25 28.32 15.75 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.615 -0.72 . . . . 10.0 110.509 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.44 116.16 6.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.434 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 28.1 m -59.26 -23.51 25.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.641 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -69.1 -23.73 64.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.045 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 9.2 mt -108.48 -33.04 2.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.039 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 41.8 m -59.64 -57.81 11.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.494 -0.321 . . . . 10.0 111.509 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.21 -29.38 69.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.11 0.481 . . . . 10.0 110.729 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 491' ' ' ASP . . . . . 0.551 ' OD1' ' HG3' ' B' ' 72' ' ' ARG . 21.2 t0 -68.77 -49.09 61.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.526 -0.761 . . . . 10.0 109.572 178.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -54.21 -36.67 63.73 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.575 -0.739 . . . . 10.0 111.135 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 67.7 mt -65.92 -46.36 88.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.444 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.22 -36.09 83.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.36 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 495' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' D' ' 491' ' ' ASP . 18.9 mm-40 -67.14 -43.04 83.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.937 0.399 . . . . 10.0 110.817 179.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 124.77 25.14 1.6 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.841 -0.695 . . . . 10.0 112.8 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -82.69 -22.94 34.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.147 0.499 . . . . 10.0 110.09 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 1.5 mp -101.87 142.22 16.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.523 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -78.59 131.17 36.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.948 0.404 . . . . 10.0 111.153 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 19.8 m -84.82 163.95 44.18 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.556 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -67.77 78.89 0.52 Allowed 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.812 2.342 . . . . 10.0 112.723 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -102.95 131.68 21.93 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.128 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -66.22 149.78 85.21 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.488 2.125 . . . . 10.0 112.269 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 4.8 t . . . . . 0 C--O 1.254 1.331 0 CA-C-O 118.145 -0.931 . . . . 10.0 109.912 -179.819 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.479 0.983 0 N-CA-C 110.01 -0.367 . . . . 10.0 110.01 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -115.45 137.72 51.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.876 0.369 . . . . 10.0 111.343 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.9 pt -124.8 161.07 29.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.958 -0.564 . . . . 10.0 109.826 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -113.88 117.24 30.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.807 0.337 . . . . 10.0 110.658 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 42.1 t -102.41 119.47 50.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.349 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -100.47 131.02 46.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.946 0.403 . . . . 10.0 110.584 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.4 p -99.86 167.47 10.5 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.412 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.83 -16.6 63.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.882 0.373 . . . . 10.0 111.349 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.27 -16.88 38.65 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.134 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.05 -0.82 41.09 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.088 -0.577 . . . . 10.0 112.71 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -79.54 135.29 36.58 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.361 0.264 . . . . 10.0 110.455 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -107.67 123.26 48.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.43 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.1 mt -108.82 137.62 39.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.333 -178.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.43 130.85 47.74 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.704 178.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.0 mt -128.52 138.94 52.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.282 0.563 . . . . 10.0 112.082 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -89.37 100.73 13.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.065 -0.971 . . . . 10.0 108.988 178.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.0 m -132.02 176.5 8.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.02 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.559 ' O ' HD11 ' A' ' 56' ' ' LEU . 7.8 mm-40 -134.52 156.97 78.34 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 108.676 -0.861 . . . . 10.0 108.676 179.144 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.48 -35.86 77.71 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.621 2.214 . . . . 10.0 113.19 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.23 5.47 34.14 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.421 0.526 . . . . 10.0 112.421 -179.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -74.8 141.58 44.32 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 110.016 -0.364 . . . . 10.0 110.016 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.411 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -78.47 142.6 37.37 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.122 -179.362 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.1 mm -56.51 -42.3 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.771 0.319 . . . . 10.0 110.854 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -60.07 -40.59 90.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.438 . . . . 10.0 110.604 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.539 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 65.0 t30 -64.11 -39.28 93.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.907 -0.588 . . . . 10.0 109.848 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 22' ' ' THR . 76.0 t -62.4 -41.97 93.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.018 -0.537 . . . . 10.0 109.661 178.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -61.42 -38.25 86.45 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.034 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.38 -32.62 74.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.627 -0.715 . . . . 10.0 110.694 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.539 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 51.2 mttt -71.18 -34.7 71.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 10.0 109.956 179.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 93.2 mt -66.14 -43.85 91.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.749 179.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -66.18 -30.0 70.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.312 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -67.7 -39.14 84.42 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -86.75 -45.63 10.75 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.0 0.37 . . . . 10.0 112.0 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -87.48 -62.89 1.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.763 0.316 . . . . 10.0 111.638 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.15 -19.76 5.7 Favored Glycine 0 C--O 1.23 -0.117 0 C-N-CA 120.897 -0.668 . . . . 10.0 112.116 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.3 mt -64.78 124.69 87.1 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.751 -0.224 . . . . 10.0 110.591 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -56.79 146.11 79.65 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.795 2.33 . . . . 10.0 112.255 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.04 -20.74 55.26 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.685 2.257 . . . . 10.0 112.298 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.52 -35.23 79.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.027 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -98.73 7.42 46.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.819 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -96.27 102.52 14.32 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.219 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -103.86 100.7 10.49 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.82 -0.437 . . . . 10.0 109.82 178.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.5 mt -88.49 117.28 27.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.887 -0.597 . . . . 10.0 111.001 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mp -116.09 130.5 70.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.509 -0.769 . . . . 10.0 109.6 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -118.79 107.68 13.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.527 -0.306 . . . . 10.0 110.244 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.15 27.18 16.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.653 -0.703 . . . . 10.0 111.537 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.76 -26.85 21.98 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.927 -0.654 . . . . 10.0 112.612 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -86.47 128.79 35.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.543 0.211 . . . . 10.0 110.534 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -77.99 136.87 38.04 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.748 -0.464 . . . . 10.0 109.748 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.4 mt -88.37 130.48 35.14 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.979 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.46 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 83.9 mt-10 -88.87 136.58 32.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.719 179.02 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -60.96 -25.25 66.7 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.118 -0.492 . . . . 10.0 112.271 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.51 14.83 49.37 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.86 -0.686 . . . . 10.0 113.365 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.46 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 14.5 mmt180 -123.36 177.33 5.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.191 0.495 . . . . 10.0 110.334 179.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.461 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 13.4 p -116.08 173.62 6.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.342 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.559 HD11 ' O ' ' A' ' 18' ' ' GLU . 95.9 mt -65.59 -36.44 83.76 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.859 0.361 . . . . 10.0 111.033 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.7 p -65.66 -25.65 67.44 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.932 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.461 ' HB2' ' O ' ' A' ' 55' ' ' THR . 3.4 m-20 -61.74 -30.3 70.68 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.268 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -110.65 14.24 22.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.367 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 60.95 28.96 18.71 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.686 -0.688 . . . . 10.0 111.73 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 77.5 mt -76.8 114.35 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.022 0.439 . . . . 10.0 110.237 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -108.79 -160.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.557 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -77.11 154.75 32.95 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.608 0.242 . . . . 10.0 110.363 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 67.0 15.59 10.18 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.826 -0.624 . . . . 10.0 112.01 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.8 m -81.73 150.63 27.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.576 0.227 . . . . 10.0 110.433 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 35.7 m -105.15 120.18 40.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.155 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.7 mp -106.83 129.17 54.72 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.388 -0.597 . . . . 10.0 109.388 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -94.13 123.8 37.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.689 0.28 . . . . 10.0 110.457 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.5 tp -105.9 109.54 21.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.236 0.541 . . . . 10.0 111.17 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 68.8 t -100.26 138.73 23.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.621 -0.718 . . . . 10.0 109.731 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 67.9 mt -96.2 167.93 10.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.979 0.419 . . . . 10.0 110.891 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -139.99 103.52 4.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.022 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.8 mt -107.87 132.6 53.27 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.978 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -129.66 116.36 18.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.778 -0.647 . . . . 10.0 109.846 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.57 34.86 3.72 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.778 -0.725 . . . . 10.0 111.509 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.507 ' C ' ' HZ2' ' B' ' 48' ' ' LYS . . . . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.153 -1.359 . . . . 10.0 110.94 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.471 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 25.6 ptt? . . . . . 0 N--CA 1.479 0.979 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -97.76 129.91 44.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.899 0.381 . . . . 10.0 111.414 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 20.4 pt -127.74 161.92 34.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.966 -0.561 . . . . 10.0 109.702 178.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -118.83 128.87 54.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.957 0.408 . . . . 10.0 111.035 -179.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 39.9 t -110.84 125.92 68.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.178 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 27.2 mttt -98.29 135.03 40.49 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.587 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.1 p -105.07 170.57 7.79 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.429 -0.35 . . . . 10.0 110.262 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 92.5 mt -74.21 -10.93 60.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.255 -0.43 . . . . 10.0 111.742 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -93.8 -12.0 30.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.887 0.375 . . . . 10.0 111.001 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.98 -9.2 46.67 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.969 -0.634 . . . . 10.0 112.532 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.416 ' HZ3' ' CD ' ' B' ' 34' ' ' GLU . 86.9 tttt -73.87 141.35 46.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.721 0.296 . . . . 10.0 110.519 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.6 m -111.86 123.28 49.9 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.1 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 24.3 mt -100.07 135.01 37.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.557 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p -99.45 125.46 45.18 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.945 -0.391 . . . . 10.0 109.945 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 74.7 mt -126.31 134.34 51.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.104 0.478 . . . . 10.0 111.08 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -107.38 89.04 2.88 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.628 -0.715 . . . . 10.0 109.218 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.471 ' O ' ' HG2' ' B' ' 1' ' ' MET . 10.7 m -123.19 164.77 20.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.65 -178.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -106.14 155.89 37.74 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.178 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.44 -28.87 46.29 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 122.798 2.332 . . . . 10.0 113.298 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.74 -4.7 47.63 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.463 0.542 . . . . 10.0 112.463 -179.001 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -72.04 150.35 44.06 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.245 0.545 . . . . 10.0 111.064 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.424 ' O ' HG21 ' B' ' 26' ' ' VAL . 0.2 OUTLIER -96.2 147.85 23.33 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.727 -0.669 . . . . 10.0 110.625 -179.477 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.446 HG12 ' O ' ' B' ' 54' ' ' ARG . 51.9 mm -55.56 -45.25 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 116.603 -0.271 . . . . 10.0 111.501 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -59.31 -42.87 92.36 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.896 0.379 . . . . 10.0 110.656 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.45 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 61.8 t30 -63.86 -37.52 87.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.282 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.424 HG21 ' O ' ' B' ' 22' ' ' THR . 83.1 t -64.3 -44.72 97.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.199 179.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.42 ' HZ2' ' CG ' ' B' ' 52' ' ' ASP . 28.8 mtmt -62.66 -37.16 85.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.578 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.43 -37.2 80.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.596 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 36.0 mttt -69.38 -38.03 77.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.11 179.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 78.0 mt -66.16 -34.76 72.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 109.3 -0.629 . . . . 10.0 109.3 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.408 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 37.2 tt0 -66.73 -31.05 71.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.285 -0.87 . . . . 10.0 109.826 178.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -76.31 -30.33 57.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.844 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -84.28 -67.03 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.879 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.416 ' CD ' ' HZ3' ' B' ' 11' ' ' LYS . 55.5 mm-40 -77.32 -37.11 53.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.425 . . . . 10.0 112.1 -178.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.408 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 95.26 36.08 5.54 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.43 -0.891 . . . . 10.0 111.738 -178.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 53.1 mt -111.21 120.23 43.58 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 110.059 -0.349 . . . . 10.0 110.059 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.54 140.54 64.67 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.828 2.352 . . . . 10.0 112.358 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.61 -21.57 31.88 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 123.13 2.553 . . . . 10.0 113.163 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.35 -36.9 79.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.656 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -90.76 1.06 57.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.989 -178.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -95.21 110.67 22.61 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.363 -0.381 . . . . 10.0 110.786 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.421 HH12 ' HG2' ' D' ' 495' ' ' GLU . 0.0 OUTLIER -116.45 91.07 3.48 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 178.826 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 21.1 mt -78.63 127.85 32.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.952 -0.567 . . . . 10.0 111.52 -178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mp -122.7 139.28 50.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.475 -0.784 . . . . 10.0 110.013 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -134.54 122.3 22.2 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.21 20.88 12.54 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.482 0.489 . . . . 10.0 111.544 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.3 2.25 64.02 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.846 -0.692 . . . . 10.0 113.07 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.507 ' HZ2' ' C ' ' A' ' 76' ' ' GLY . 9.2 mttt -118.85 145.8 45.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.146 0.473 . . . . 10.0 110.503 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.88 143.4 39.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.997 0.427 . . . . 10.0 111.28 -179.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 46.6 mt -93.36 119.21 32.21 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.396 -0.82 . . . . 10.0 109.202 178.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.489 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 2.2 mt-10 -74.34 135.68 42.5 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.792 -0.447 . . . . 10.0 109.792 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.42 ' CG ' ' HZ2' ' B' ' 27' ' ' LYS . 1.4 m-20 -52.36 -38.97 60.13 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.245 0.832 . . . . 10.0 113.245 -178.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.15 22.07 7.49 Favored Glycine 0 CA--C 1.521 0.41 0 C-N-CA 120.879 -0.677 . . . . 10.0 114.652 -178.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.489 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 23.2 mmt180 -117.02 167.22 11.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 117.832 0.816 . . . . 10.0 110.372 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.549 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 32.0 p -107.02 173.77 6.18 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.051 179.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 79.3 mt -67.39 -35.68 79.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.129 0.49 . . . . 10.0 110.33 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 13.7 m -70.56 -19.63 62.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.689 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.549 ' HB2' ' O ' ' B' ' 55' ' ' THR . 0.6 OUTLIER -61.52 -31.57 71.58 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.573 179.725 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -110.05 11.76 23.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.404 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 58.23 39.11 26.11 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.371 -0.831 . . . . 10.0 111.622 179.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 70.9 mt -77.47 127.19 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.582 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -108.09 -174.21 2.47 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.719 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -74.49 155.11 38.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.747 0.308 . . . . 10.0 110.77 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 64.72 16.32 10.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.427 -0.806 . . . . 10.0 112.149 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 23.5 m -81.68 153.24 26.71 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.104 -0.332 . . . . 10.0 110.104 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.8 m -102.04 123.21 45.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.787 0.327 . . . . 10.0 111.251 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 mp -109.61 137.22 47.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.079 -0.51 . . . . 10.0 109.655 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.529 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 51.4 m80 -95.72 125.5 40.34 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.793 0.33 . . . . 10.0 110.992 -179.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 68.3 tp -107.35 103.59 12.99 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.878 0.371 . . . . 10.0 110.205 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 28.3 t -93.63 136.16 26.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.064 -0.517 . . . . 10.0 110.207 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.443 ' O ' ' HB2' ' D' ' 491' ' ' ASP . 75.2 mt -93.78 146.81 23.6 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 179.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.525 ' HG3' ' OD2' ' D' ' 491' ' ' ASP . 48.6 ttt-85 -123.3 117.73 25.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.969 0.414 . . . . 10.0 110.539 -179.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 8.0 mp -115.7 94.6 4.76 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.715 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -118.58 -38.74 3.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.656 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 102.27 -25.13 28.78 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.921 -0.657 . . . . 10.0 111.696 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.075 -1.403 . . . . 10.0 110.916 179.689 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 20.5 m . . . . . 0 N--CA 1.476 0.84 0 CA-C-O 120.209 0.052 . . . . 10.0 111.037 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 63.6 20.92 12.49 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.005 0.431 . . . . 10.0 111.251 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 1.1 m -66.78 -43.25 84.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.457 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -65.01 -36.82 85.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.372 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 51.7 mt -69.19 -43.38 74.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.961 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -65.21 -41.85 94.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.417 . . . . 10.0 110.528 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -65.14 -40.79 94.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.565 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 3.4 mtm -64.33 -43.35 94.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.755 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -59.35 -36.95 76.67 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.222 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -59.57 -36.68 76.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.698 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 463' ' ' GLN . . . . . 0.493 ' O ' ' HG2' ' D' ' 467' ' ' MET . 30.2 tp60 -64.69 -39.3 93.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.385 -0.37 . . . . 10.0 110.096 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 55.5 mt -66.25 -37.92 80.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.453 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -61.82 -26.89 68.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.628 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -83.72 -14.42 51.68 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.981 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 467' ' ' MET . . . . . 0.529 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 74.4 mmm -96.59 -42.0 8.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.351 0.596 . . . . 10.0 109.924 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 468' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -122.99 91.32 49.93 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.843 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -81.35 30.69 0.52 Allowed 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.799 2.333 . . . . 10.0 111.735 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -133.57 14.12 4.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.168 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 471' ' ' VAL . . . . . . . . . . . . . 7.9 p -123.83 129.29 24.85 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.176 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 472' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -57.15 126.9 23.62 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.639 2.226 . . . . 10.0 112.09 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -55.29 -36.89 66.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.546 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -66.44 -22.14 66.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.487 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 21.3 mt -86.38 -30.37 22.19 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 45.8 t -68.42 -47.28 78.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.464 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . 0.488 ' O ' ' HG3' ' D' ' 481' ' ' GLN . 78.3 mt -60.77 -26.97 67.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.641 -0.709 . . . . 10.0 110.939 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -63.43 -57.9 8.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.476 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -70.41 -29.39 66.0 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.654 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -26.02 66.27 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.839 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 481' ' ' GLN . . . . . 0.488 ' HG3' ' O ' ' D' ' 477' ' ' LEU . 77.5 mt-30 -85.29 -17.35 37.16 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.792 0.329 . . . . 10.0 110.586 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -94.31 -61.18 1.57 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.06 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 5.2 p -76.94 -39.33 51.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.46 -0.336 . . . . 10.0 111.024 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 57.14 38.1 28.83 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.779 -0.646 . . . . 10.0 111.404 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 4.0 t -158.63 109.16 2.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.063 -0.517 . . . . 10.0 109.759 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 10.0 m -53.25 -31.4 18.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 111.831 0.308 . . . . 10.0 111.831 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -63.65 -26.32 68.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.428 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 21.6 mt -104.85 -34.67 3.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.061 0.458 . . . . 10.0 110.455 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 15.9 m -65.77 -50.44 64.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.569 -0.741 . . . . 10.0 112.167 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 2.1 m -61.73 -38.69 88.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.049 0.452 . . . . 10.0 110.577 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 491' ' ' ASP . . . . . 0.525 ' OD2' ' HG3' ' B' ' 72' ' ' ARG . 35.0 t70 -72.39 -29.09 63.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.194 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -56.84 -27.91 60.87 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.846 178.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 10.9 mt -81.99 -25.51 9.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.239 0.542 . . . . 10.0 110.331 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 19.7 mt -89.56 -1.58 58.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.108 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 495' ' ' GLU . . . . . 0.421 ' HG2' HH12 ' B' ' 42' ' ' ARG . 15.8 mm-40 -121.36 -156.29 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.248 -0.887 . . . . 10.0 109.265 179.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . -104.83 94.23 1.0 Allowed Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.253 -0.975 . . . . 10.0 111.864 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 2.1 tpp85 -148.2 -66.06 0.25 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.728 0.299 . . . . 10.0 110.844 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 2.6 mt -97.77 139.71 19.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.697 -0.483 . . . . 10.0 109.697 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -76.27 150.87 36.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.797 0.332 . . . . 10.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 500' ' ' VAL . . . . . 0.4 ' HA ' ' HD3' ' D' ' 501' ' ' PRO . 16.1 m -85.74 152.42 56.85 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.79 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 501' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' D' ' 500' ' ' VAL . 15.0 Cg_exo -68.34 90.11 0.39 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.635 2.223 . . . . 10.0 112.415 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -97.98 134.5 22.12 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.938 -0.574 . . . . 10.0 109.845 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -61.88 154.25 62.63 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.648 2.232 . . . . 10.0 112.604 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 8.0 t . . . . . 0 C--O 1.253 1.25 0 CA-C-O 119.012 -0.518 . . . . 10.0 110.533 -179.799 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.443 ' HB2' ' HB3' ' A' ' 63' ' ' LYS . 23.6 ptt? . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.698 0.285 . . . . 10.0 110.413 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -107.22 134.05 50.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.512 -0.313 . . . . 10.0 110.671 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.0 pt -119.28 156.89 21.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.067 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -116.3 117.93 31.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.932 0.396 . . . . 10.0 110.856 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.8 t -100.77 119.12 48.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.235 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 41.8 mmtt -97.68 117.58 32.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.992 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.81 161.37 19.96 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 98.1 mt -61.51 -19.75 62.43 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.921 0.391 . . . . 10.0 111.556 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.27 -10.92 58.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.108 0.48 . . . . 10.0 110.912 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.14 -10.72 55.14 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.994 -0.622 . . . . 10.0 112.075 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.86 134.03 56.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.909 0.385 . . . . 10.0 111.274 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m -111.56 111.2 22.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.729 -0.668 . . . . 10.0 110.003 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.9 mt -101.75 131.03 50.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.914 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 m -97.19 123.32 40.93 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.658 -0.497 . . . . 10.0 109.658 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.7 mt -122.58 142.88 50.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.018 0.437 . . . . 10.0 111.606 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -93.48 113.01 25.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.547 -0.751 . . . . 10.0 109.348 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.428 ' O ' ' HG2' ' A' ' 1' ' ' MET . 19.7 m -140.54 159.48 24.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.913 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -112.74 153.75 44.99 Favored Pre-proline 0 C--N 1.315 -0.931 0 N-CA-C 108.588 -0.893 . . . . 10.0 108.588 178.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.92 -28.81 50.81 Favored 'Trans proline' 0 CA--C 1.53 0.287 0 C-N-CA 122.139 1.892 . . . . 10.0 113.101 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 p -81.13 -0.13 38.78 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -78.44 145.53 35.0 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 120.86 0.362 . . . . 10.0 110.502 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -90.83 148.0 22.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.839 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.7 mm -57.31 -36.16 51.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.971 0.415 . . . . 10.0 110.577 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -59.89 -39.27 84.77 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.386 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -73.21 -35.93 66.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.046 -0.525 . . . . 10.0 109.846 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.2 t -61.33 -44.59 98.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.956 -0.565 . . . . 10.0 109.717 178.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -65.62 -31.18 72.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.384 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.92 -36.54 82.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.211 0.529 . . . . 10.0 109.86 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.34 -33.97 76.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.013 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.5 mt -69.54 -33.77 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.784 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -68.24 -30.56 69.64 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.355 0.598 . . . . 10.0 109.814 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -75.6 -35.21 60.59 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.725 -0.67 . . . . 10.0 110.284 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -76.49 -61.26 2.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.694 -0.685 . . . . 10.0 111.77 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -85.37 -68.41 0.73 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.812 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 139.31 -18.18 3.09 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.753 -0.737 . . . . 10.0 111.642 -179.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.4 mt -61.87 125.91 86.03 Favored Pre-proline 0 C--N 1.326 -0.423 0 C-N-CA 122.167 0.187 . . . . 10.0 110.547 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.18 144.71 99.28 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.573 2.182 . . . . 10.0 112.039 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.09 -18.49 51.36 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.884 2.389 . . . . 10.0 112.916 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.17 -29.1 67.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.561 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -101.88 1.1 36.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.607 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -91.58 108.05 19.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.069 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -112.2 96.94 6.31 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.886 0.374 . . . . 10.0 110.07 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.4 mt -83.53 123.72 30.03 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.789 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 93.4 mt -119.8 127.44 75.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.216 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -118.16 108.99 15.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.442 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.61 30.54 20.17 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.725 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.71 -13.46 65.25 Favored Glycine 0 N--CA 1.455 -0.098 0 C-N-CA 120.917 -0.659 . . . . 10.0 112.658 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -94.16 119.0 32.37 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.608 -0.145 . . . . 10.0 110.608 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -75.73 124.52 27.41 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.26 -0.644 . . . . 10.0 109.26 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.4 mt -76.76 129.5 36.38 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.319 -0.401 . . . . 10.0 111.515 -178.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.438 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 24.2 mt-10 -84.78 154.12 22.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.989 -0.551 . . . . 10.0 109.718 178.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.99 -48.28 81.04 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.782 0.66 . . . . 10.0 112.782 -178.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.01 46.6 3.69 Favored Glycine 0 CA--C 1.516 0.127 0 C-N-CA 120.677 -0.773 . . . . 10.0 114.149 -178.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.438 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 20.2 mmt180 -135.6 163.12 30.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 117.031 0.415 . . . . 10.0 110.068 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.9 p -105.34 166.77 10.19 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.01 -0.367 . . . . 10.0 110.01 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.0 mt -66.21 -31.89 72.99 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.274 0.559 . . . . 10.0 110.147 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.83 -23.51 64.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.627 -0.715 . . . . 10.0 111.572 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -64.35 -30.98 72.01 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.827 0.346 . . . . 10.0 111.221 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -107.29 10.72 29.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.037 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.7 t30 63.38 30.6 15.46 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.682 -0.69 . . . . 10.0 111.691 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.8 mt -76.23 123.47 32.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.775 -0.454 . . . . 10.0 109.775 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -122.57 -167.97 1.66 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.787 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.443 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 5.6 pttt -65.63 151.77 45.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.473 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 64.49 28.79 13.45 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.579 0.55 . . . . 10.0 111.792 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.5 m -103.35 132.49 49.57 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.897 0.379 . . . . 10.0 110.445 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -98.36 134.19 41.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.862 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 mp -120.96 148.08 44.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.181 -0.463 . . . . 10.0 109.829 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -98.24 129.37 44.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.819 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.9 tp -104.23 99.69 9.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.068 -0.514 . . . . 10.0 110.027 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 42.1 t -93.75 136.69 24.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.309 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.3 mt -103.99 150.89 23.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.576 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 28.6 ttt180 -130.7 139.06 50.29 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.598 0.237 . . . . 10.0 110.902 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 46.1 mt -107.95 179.48 4.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.517 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -114.76 -52.48 2.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.795 0.331 . . . . 10.0 111.001 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -162.4 66.91 0.24 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.961 -0.638 . . . . 10.0 111.865 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.117 0 CA-C-O 117.948 -1.473 . . . . 10.0 110.942 179.92 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.441 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 26.9 ptt? . . . . . 0 N--CA 1.482 1.165 0 N-CA-C 109.83 -0.433 . . . . 10.0 109.83 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -90.81 133.13 35.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.995 0.426 . . . . 10.0 111.502 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 13.9 pt -125.03 162.1 27.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.648 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.416 ' O ' ' HA ' ' B' ' 66' ' ' THR . 86.3 m-85 -119.71 126.79 51.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.557 -0.292 . . . . 10.0 110.519 -179.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 42.5 t -110.08 125.95 67.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.654 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -93.73 147.71 22.79 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.848 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 35.9 p -127.97 162.09 27.6 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.826 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 61.3 mt -64.91 -21.59 66.85 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.121 0.486 . . . . 10.0 111.046 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.48 -4.57 58.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.939 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.89 11.77 83.47 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 121.087 -0.578 . . . . 10.0 112.037 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -91.64 102.86 15.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.811 0.339 . . . . 10.0 110.634 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.1 m -74.0 122.76 23.12 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.282 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.3 mt -100.98 137.19 29.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.278 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.44 136.01 44.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.497 -0.319 . . . . 10.0 110.291 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 42.1 mt -142.34 143.37 32.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.099 0.476 . . . . 10.0 111.254 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -104.53 103.0 12.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.391 -0.822 . . . . 10.0 108.911 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.441 ' O ' ' HG2' ' B' ' 1' ' ' MET . 26.9 m -133.68 174.78 12.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.514 -0.312 . . . . 10.0 110.363 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.488 ' O ' HD12 ' B' ' 56' ' ' LEU . 5.6 mm-40 -126.6 157.17 71.83 Favored Pre-proline 0 C--N 1.318 -0.764 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 179.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.06 -17.5 31.71 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.643 2.229 . . . . 10.0 112.993 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.96 -7.81 59.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.837 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -76.59 153.77 35.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.709 0.29 . . . . 10.0 110.592 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.431 ' O ' HG21 ' B' ' 26' ' ' VAL . 29.8 p -96.44 151.65 19.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.299 -0.41 . . . . 10.0 111.032 -178.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 38.1 mm -57.94 -41.12 79.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.041 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -62.16 -42.57 99.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.521 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.415 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 64.5 t30 -66.41 -36.08 81.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.948 0.404 . . . . 10.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.431 HG21 ' O ' ' B' ' 22' ' ' THR . 71.4 t -63.29 -43.77 98.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 10.0 109.722 178.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -64.72 -30.72 71.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.445 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.49 -38.67 90.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.122 0.487 . . . . 10.0 110.044 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 18.4 mttm -64.69 -38.94 92.7 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.791 179.044 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 67.2 mt -68.29 -33.33 59.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.495 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.496 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 49.5 tt0 -65.86 -29.98 70.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.261 179.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -80.17 -43.28 21.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.526 -0.306 . . . . 10.0 110.606 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.2 mttt -71.43 -61.74 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.938 0.399 . . . . 10.0 111.903 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -79.16 -39.83 32.47 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.922 0.342 . . . . 10.0 111.922 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.496 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 96.26 16.88 36.19 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.51 -0.852 . . . . 10.0 112.283 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.9 mt -95.02 127.55 42.41 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 110.416 -0.216 . . . . 10.0 110.416 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.33 132.91 55.07 Favored 'Trans proline' 0 CA--C 1.533 0.436 0 C-N-CA 122.6 2.2 . . . . 10.0 111.963 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -60.06 -18.11 49.0 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.153 2.569 . . . . 10.0 112.895 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.53 -35.82 79.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.974 -0.557 . . . . 10.0 109.971 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -95.43 6.43 49.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.854 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -96.06 114.74 26.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.381 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.477 ' HD2' ' HD2' ' B' ' 72' ' ' ARG . 21.8 mtp180 -110.35 113.24 25.75 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.7 -0.852 . . . . 10.0 108.7 177.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 16.0 mt -94.45 123.73 38.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.849 0.357 . . . . 10.0 110.851 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -120.33 139.06 48.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.796 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -133.41 121.51 22.37 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.606 -0.725 . . . . 10.0 109.417 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.29 15.8 8.95 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.066 -0.515 . . . . 10.0 112.2 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.53 -0.86 46.05 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.751 -0.738 . . . . 10.0 113.362 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -118.81 152.75 35.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.93 0.365 . . . . 10.0 110.263 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.96 147.96 24.79 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.207 0.527 . . . . 10.0 112.013 -178.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 7.0 mt -103.05 128.73 49.8 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.018 -0.992 . . . . 10.0 108.754 178.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.486 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 48.9 mt-10 -78.19 153.94 31.55 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.723 0.297 . . . . 10.0 110.502 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.8 -47.81 84.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.736 -0.666 . . . . 10.0 111.58 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.53 48.12 3.9 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 121.047 -0.597 . . . . 10.0 113.133 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.486 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 37.6 mmt180 -136.66 161.26 36.41 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.89 -0.411 . . . . 10.0 109.89 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -105.0 159.17 16.03 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.955 -0.566 . . . . 10.0 109.721 179.165 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.488 HD12 ' O ' ' B' ' 18' ' ' GLU . 89.3 mt -63.61 -31.29 72.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.148 0.499 . . . . 10.0 110.63 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.7 p -70.07 -23.83 63.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.134 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.33 -19.66 64.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.577 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -112.58 12.64 19.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.455 -0.339 . . . . 10.0 110.379 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 57.49 34.82 25.13 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.65 -0.704 . . . . 10.0 112.099 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 66.7 mt -78.51 119.71 28.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.365 -0.379 . . . . 10.0 110.6 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -109.27 -172.71 2.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.333 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -71.94 162.71 29.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.284 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 60.08 27.1 16.5 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 123.415 0.447 . . . . 10.0 111.273 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 72.2 m -101.1 149.68 23.71 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.277 -0.419 . . . . 10.0 110.954 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 1.2 m -105.24 125.16 50.67 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.499 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -108.64 141.49 40.52 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.372 -0.973 . . . . 10.0 108.372 178.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.591 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 51.9 m80 -102.5 121.12 41.73 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 120.831 0.348 . . . . 10.0 111.275 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.5 tp -97.46 98.88 10.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.928 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 69.8 t -93.31 130.23 42.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.394 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 79.8 mt -84.28 148.33 26.74 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.477 ' HD2' ' HD2' ' B' ' 42' ' ' ARG . 21.1 ttt180 -128.09 121.69 30.25 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.87 0.367 . . . . 10.0 111.001 -179.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 8.4 mp -110.31 12.76 23.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.572 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.425 ' HD2' ' HG3' ' D' ' 495' ' ' GLU . 0.0 OUTLIER -72.06 -30.71 65.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.637 179.841 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.88 -76.35 2.25 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.843 -0.617 . . . . 10.0 112.68 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.685 -1.064 . . . . 10.0 112.418 -179.462 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.477 0.9 0 CA-C-O 120.569 0.223 . . . . 10.0 110.845 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 67.88 20.59 9.24 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.874 -0.603 . . . . 10.0 111.713 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.53 -62.05 2.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.747 0.308 . . . . 10.0 110.961 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -69.98 -27.83 65.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.569 -0.287 . . . . 10.0 111.05 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.62 -42.58 99.67 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -71.3 -36.97 71.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.382 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -67.57 -33.78 75.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.879 -0.601 . . . . 10.0 110.777 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 61.9 mtm -79.38 -29.81 42.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.53 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -65.4 -37.51 87.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.99 0.424 . . . . 10.0 110.46 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -64.45 -27.57 69.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.375 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -64.52 -40.9 96.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.004 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 56.6 mt -72.92 -32.18 38.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.278 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -65.5 -27.06 68.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.222 0.534 . . . . 10.0 110.131 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -77.06 -12.6 59.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.241 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 467' ' ' MET . . . . . 0.591 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 29.1 mmm -102.55 -47.64 4.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.431 -0.804 . . . . 10.0 109.985 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 468' ' ' PHE . . . . . 0.552 ' O ' HG13 ' D' ' 471' ' ' VAL . 66.7 m-85 -121.57 94.41 48.5 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.181 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -81.17 -2.65 11.8 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.286 1.991 . . . . 10.0 112.974 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 11.7 pm0 -99.16 -3.49 34.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.782 0.325 . . . . 10.0 111.416 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 471' ' ' VAL . . . . . 0.552 HG13 ' O ' ' D' ' 468' ' ' PHE . 9.9 p -94.07 135.34 24.74 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.589 -0.278 . . . . 10.0 110.405 -179.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 472' ' ' PRO . . . . . 0.403 ' HB3' ' CE1' ' D' ' 474' ' ' HIS . 32.6 Cg_exo -60.55 123.54 13.25 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.484 2.123 . . . . 10.0 112.136 178.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -57.19 -37.38 72.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.898 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 474' ' ' HIS . . . . . 0.403 ' CE1' ' HB3' ' D' ' 472' ' ' PRO . 53.7 p-80 -67.69 -24.42 65.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.592 0.234 . . . . 10.0 111.18 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 19.9 mt -80.27 -30.5 38.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.041 0.448 . . . . 10.0 109.913 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 57.9 t -65.93 -42.27 91.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.813 -0.631 . . . . 10.0 109.444 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.7 -20.79 66.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.908 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -73.13 -52.58 13.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.595 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -69.14 -32.4 71.74 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.938 0.399 . . . . 10.0 110.775 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.16 -30.01 67.85 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.168 0.508 . . . . 10.0 110.67 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -94.59 8.24 42.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.218 0.532 . . . . 10.0 110.526 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.41 -58.11 2.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.098 179.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 47.0 p -88.41 -32.75 18.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.419 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? 66.03 25.6 10.91 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.787 -0.642 . . . . 10.0 111.271 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 43.2 m -152.07 114.61 4.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.368 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 15.3 m -57.26 -29.62 33.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.44 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -65.5 -24.42 67.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.464 . . . . 10.0 111.01 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 30.7 mt -99.31 -31.86 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.96 0.409 . . . . 10.0 110.027 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 489' ' ' THR . . . . . 0.445 ' O ' HG13 ' D' ' 493' ' ' ILE . 89.1 m -64.34 -53.48 48.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.362 -0.835 . . . . 10.0 111.443 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 1.5 m -59.57 -38.89 82.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.787 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 491' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' D' ' 495' ' ' GLU . 31.1 t70 -67.93 -41.19 82.93 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 178.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -54.98 -37.76 66.95 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.273 -0.876 . . . . 10.0 110.671 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 493' ' ' ILE . . . . . 0.445 HG13 ' O ' ' D' ' 489' ' ' THR . 59.7 mt -66.19 -43.21 92.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.188 179.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 76.1 mt -68.08 -35.93 78.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 495' ' ' GLU . . . . . 0.425 ' HG3' ' HD2' ' B' ' 74' ' ' ARG . 7.1 mm-40 -69.81 -36.52 75.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.257 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 116.7 27.57 2.75 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.278 -0.963 . . . . 10.0 113.005 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -82.42 -41.6 19.66 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 3.8 mp -93.19 132.36 37.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.575 -0.739 . . . . 10.0 109.023 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -69.76 141.68 53.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.013 0.435 . . . . 10.0 111.144 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 20.2 m -90.32 162.02 35.67 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.075 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.8 110.61 0.56 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.588 2.192 . . . . 10.0 112.317 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -97.94 122.25 55.17 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.134 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -72.19 118.29 5.54 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.302 2.001 . . . . 10.0 111.707 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.353 -0.832 . . . . 10.0 110.22 -179.764 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.483 1.207 0 CA-C-O 120.678 0.275 . . . . 10.0 110.378 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -105.66 146.88 29.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.644 0.259 . . . . 10.0 110.683 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.7 pt -129.98 160.56 40.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.699 -0.482 . . . . 10.0 109.699 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -116.28 111.14 19.7 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.069 0.461 . . . . 10.0 111.136 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.2 t -97.44 120.41 46.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.988 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -94.26 123.76 37.86 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.141 0.496 . . . . 10.0 110.935 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.98 163.21 14.08 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.045 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.4 mt -58.13 -30.38 66.28 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.854 0.359 . . . . 10.0 111.656 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.07 4.85 13.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 10.0 112.196 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.72 5.53 89.34 Favored Glycine 0 C--N 1.329 0.165 0 C-N-CA 120.834 -0.698 . . . . 10.0 112.183 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -77.38 143.83 38.4 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.003 -0.369 . . . . 10.0 110.003 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.7 m -114.0 116.91 29.95 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.254 -0.43 . . . . 10.0 109.925 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.0 mt -105.33 128.85 58.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.68 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.44 138.2 38.76 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mt -146.51 139.92 25.8 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.844 0.354 . . . . 10.0 111.268 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -82.46 123.75 29.44 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.602 -0.726 . . . . 10.0 109.89 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.2 m -139.3 159.64 28.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.683 -0.69 . . . . 10.0 110.472 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -117.28 157.14 47.85 Favored Pre-proline 0 C--N 1.32 -0.715 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -55.45 -30.26 72.68 Favored 'Trans proline' 0 CA--C 1.531 0.372 0 C-N-CA 122.5 2.133 . . . . 10.0 112.866 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.55 1.77 54.27 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.17 0.433 . . . . 10.0 112.17 -179.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -74.59 143.73 44.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.769 0.319 . . . . 10.0 110.502 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.448 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -93.64 147.78 22.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.113 -179.444 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 54' ' ' ARG . 48.5 mm -57.34 -36.01 51.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-O 120.949 0.404 . . . . 10.0 110.81 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -57.9 -42.9 85.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.284 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -71.31 -36.49 71.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.304 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 22' ' ' THR . 97.0 t -60.83 -43.81 96.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.507 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -63.58 -33.63 76.04 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.97 0.414 . . . . 10.0 110.136 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.73 -33.4 72.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.699 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -67.09 -37.57 84.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.042 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.0 mt -71.64 -36.25 58.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 108.911 -0.774 . . . . 10.0 108.911 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -63.09 -38.01 89.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.35 -0.841 . . . . 10.0 109.762 178.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -65.96 -25.7 67.23 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.375 -0.829 . . . . 10.0 111.109 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -94.06 -57.09 2.63 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.202 0.445 . . . . 10.0 112.202 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -82.66 -43.62 16.71 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.396 0.517 . . . . 10.0 112.396 -178.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.2 18.08 16.05 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 120.799 -0.715 . . . . 10.0 112.45 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.8 mt -94.4 126.13 49.33 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 122.86 -0.2 . . . . 10.0 110.525 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.54 135.13 67.82 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.715 2.277 . . . . 10.0 112.19 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.36 -25.81 49.8 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.304 2.669 . . . . 10.0 113.471 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -65.63 -36.76 84.63 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.067 0.46 . . . . 10.0 111.527 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -90.69 5.43 48.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.058 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -102.39 113.31 26.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.645 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.3 mtt180 -115.17 108.79 17.09 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.418 -0.586 . . . . 10.0 109.418 177.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.7 mt -92.37 126.83 37.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.248 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.1 mp -118.32 131.08 72.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.293 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -125.68 115.64 20.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.051 -0.522 . . . . 10.0 109.836 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.26 28.25 17.83 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.524 0.515 . . . . 10.0 111.562 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.21 -1.54 82.67 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.947 -0.644 . . . . 10.0 112.71 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt -108.04 138.54 44.12 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.1 -0.333 . . . . 10.0 110.1 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -80.14 137.8 36.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.757 0.313 . . . . 10.0 110.404 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.1 mt -87.91 119.64 28.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.434 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -79.07 138.18 37.85 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.22 -0.446 . . . . 10.0 110.636 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.6 -42.38 71.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.618 -0.719 . . . . 10.0 112.473 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.36 25.77 3.67 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.996 -0.621 . . . . 10.0 113.827 -178.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.408 ' O ' HG12 ' A' ' 23' ' ' ILE . 72.4 mmt-85 -127.45 163.14 24.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 117.079 0.44 . . . . 10.0 110.241 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.7 p -106.04 177.85 4.73 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.422 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.0 mt -69.34 -32.72 71.98 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.231 0.538 . . . . 10.0 110.153 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.2 m -71.6 -13.61 61.82 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.705 -0.68 . . . . 10.0 111.126 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -77.5 -14.09 59.76 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.454 -0.339 . . . . 10.0 110.956 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -125.33 13.56 8.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.154 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.3 t30 60.17 33.77 21.09 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.934 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.6 mt -75.89 111.45 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.805 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -95.13 -167.7 1.67 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.793 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.7 pttt -73.67 144.27 45.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.684 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 61.21 32.31 19.45 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.935 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.6 m -75.34 156.92 35.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.669 0.271 . . . . 10.0 110.47 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.2 m -95.87 111.96 23.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.385 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -109.36 126.19 53.14 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.736 -0.468 . . . . 10.0 109.736 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -98.88 127.2 44.74 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 110.07 -0.344 . . . . 10.0 110.07 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.6 tp -107.02 123.41 48.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.036 0.446 . . . . 10.0 111.353 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.0 t -120.14 134.72 62.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.698 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 67.0 mt -88.79 157.83 18.35 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.336 -0.246 . . . . 10.0 110.336 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 72' ' ' ARG . 55.9 ttt-85 -124.79 111.78 15.92 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.749 0.309 . . . . 10.0 111.037 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.6 mt -130.27 129.81 43.76 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.39 45.77 0.15 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.131 0.491 . . . . 10.0 110.787 -179.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -139.79 45.35 1.01 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.577 -0.821 . . . . 10.0 112.364 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.543 ' C ' ' HZ1' ' B' ' 48' ' ' LYS . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 119.098 -0.834 . . . . 10.0 111.357 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.495 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 23.2 ptt? . . . . . 0 N--CA 1.483 1.197 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -106.17 142.62 35.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.943 0.402 . . . . 10.0 111.691 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.6 pt -128.08 160.55 37.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.201 -0.666 . . . . 10.0 109.201 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.434 ' O ' ' HA ' ' B' ' 66' ' ' THR . 51.0 m-85 -120.41 113.46 20.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.114 0.483 . . . . 10.0 111.099 -178.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -101.03 131.57 48.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.894 -0.594 . . . . 10.0 109.891 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -113.09 129.1 56.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.908 0.385 . . . . 10.0 110.777 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.41 HG23 HD23 ' B' ' 69' ' ' LEU . 73.3 p -93.22 171.76 8.72 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 43.7 mt -70.79 -8.85 55.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.198 0.523 . . . . 10.0 110.852 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.77 -1.96 54.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.662 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.61 16.73 67.68 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.8 -0.714 . . . . 10.0 112.419 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 43.7 tttp -91.69 131.24 37.22 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.305 -0.257 . . . . 10.0 110.305 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.3 m -104.29 113.22 26.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.84 0.352 . . . . 10.0 110.312 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.6 mt -103.63 123.23 57.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.279 -0.418 . . . . 10.0 110.629 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.3 m -88.17 123.7 33.08 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.211 -0.449 . . . . 10.0 109.924 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 80.9 mt -124.34 145.21 49.57 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.84 0.352 . . . . 10.0 111.263 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -97.04 121.3 38.78 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.43 -0.581 . . . . 10.0 109.43 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.495 ' O ' ' HG2' ' B' ' 1' ' ' MET . 15.4 m -141.59 -175.9 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.723 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.486 ' O ' HD12 ' B' ' 56' ' ' LEU . 53.4 mm-40 -142.95 155.8 62.34 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 108.324 -0.991 . . . . 10.0 108.324 178.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -53.23 -31.21 54.77 Favored 'Trans proline' 0 CA--C 1.532 0.424 0 C-N-CA 122.618 2.212 . . . . 10.0 113.371 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.64 6.7 29.76 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.388 0.514 . . . . 10.0 112.388 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -73.75 158.52 34.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.112 0.482 . . . . 10.0 110.304 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.9 m -105.19 142.78 34.37 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.552 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 50.5 mm -53.38 -42.51 48.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-O 120.814 0.34 . . . . 10.0 111.19 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -58.27 -42.97 87.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.827 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -64.61 -38.36 90.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.25 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 67.0 t -61.54 -43.24 96.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 10.0 109.699 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -64.61 -35.31 80.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.242 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.58 -35.69 81.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.925 -0.58 . . . . 10.0 109.831 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -66.31 -38.62 88.12 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.875 179.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 82.5 mt -67.22 -35.37 73.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.165 -0.68 . . . . 10.0 109.165 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -70.14 -28.07 65.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.245 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -74.9 -45.93 39.37 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.943 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -76.87 -46.83 23.13 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.231 0.456 . . . . 10.0 112.231 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -93.05 -58.45 2.32 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 -178.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.08 0.28 10.63 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.701 -0.761 . . . . 10.0 112.303 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 15.7 mt -72.84 124.8 91.15 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 110.495 -0.187 . . . . 10.0 110.495 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -59.19 135.16 64.03 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.438 2.092 . . . . 10.0 111.909 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -55.57 -17.79 18.26 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.324 2.682 . . . . 10.0 113.395 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.63 -28.32 62.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.936 0.398 . . . . 10.0 111.163 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -103.21 13.64 33.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.951 0.405 . . . . 10.0 110.58 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -102.51 108.57 19.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.124 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -111.49 110.22 20.54 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.198 -0.667 . . . . 10.0 109.198 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 32.7 mt -94.02 134.35 36.52 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.138 0.494 . . . . 10.0 111.431 -178.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.422 HG12 ' CE2' ' D' ' 468' ' ' PHE . 1.6 mp -123.65 132.72 70.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.485 -0.779 . . . . 10.0 109.69 179.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.446 ' HB3' HD21 ' B' ' 50' ' ' LEU . 76.0 t80 -137.03 124.54 22.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.999 -0.546 . . . . 10.0 109.912 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.61 37.7 19.17 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.463 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.21 29.15 68.94 Favored Glycine 0 CA--C 1.517 0.172 0 C-N-CA 120.846 -0.693 . . . . 10.0 112.972 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.543 ' HZ1' ' C ' ' A' ' 76' ' ' GLY . 4.4 mtmp? -143.98 147.55 34.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.568 0.223 . . . . 10.0 110.481 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.77 142.17 31.79 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.384 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.446 HD21 ' HB3' ' B' ' 45' ' ' PHE . 31.9 mt -93.8 149.04 21.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.147 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.414 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 38.0 mt-10 -98.75 151.64 20.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.249 -0.432 . . . . 10.0 109.973 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.48 -52.09 66.69 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.397 0.518 . . . . 10.0 112.397 -178.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.3 58.92 4.95 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.802 -0.713 . . . . 10.0 113.342 -178.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.414 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 25.3 mmt180 -141.33 160.7 39.57 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.277 -0.268 . . . . 10.0 110.277 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.513 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 69.7 p -103.81 171.12 7.53 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.528 -0.545 . . . . 10.0 109.528 178.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.486 HD12 ' O ' ' B' ' 18' ' ' GLU . 27.2 mt -68.35 -33.67 74.71 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.204 -0.665 . . . . 10.0 109.204 178.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.97 -22.94 65.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.511 -0.768 . . . . 10.0 111.441 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.513 ' HB2' ' O ' ' B' ' 55' ' ' THR . 0.7 OUTLIER -57.08 -46.22 82.7 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.068 0.461 . . . . 10.0 111.058 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -103.13 12.21 36.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.293 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 59.54 38.07 22.51 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.34 -0.846 . . . . 10.0 111.974 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 62.1 mt -74.8 107.4 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.981 -0.554 . . . . 10.0 109.637 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -95.98 -165.48 1.29 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.802 -0.636 . . . . 10.0 110.93 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -79.45 153.86 29.34 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.453 -0.339 . . . . 10.0 110.437 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 69.44 6.32 5.63 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.694 0.621 . . . . 10.0 111.98 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 13.0 m -74.32 147.67 42.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.905 0.383 . . . . 10.0 111.093 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.434 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 2.0 m -99.15 129.74 45.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.304 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -115.84 130.99 57.06 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.237 -0.438 . . . . 10.0 109.939 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.515 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 50.0 m80 -88.15 120.39 29.46 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.44 -0.346 . . . . 10.0 110.074 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.41 HD23 HG23 ' B' ' 7' ' ' THR . 51.6 tp -104.72 107.45 18.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.169 0.509 . . . . 10.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 68.6 t -96.61 122.9 48.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.592 -0.731 . . . . 10.0 109.709 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 55.3 mt -83.62 119.87 25.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.674 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.497 ' HA ' ' CG ' ' D' ' 491' ' ' ASP . 0.5 OUTLIER -85.49 137.08 33.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.709 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 1.8 mp -143.19 110.84 5.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.203 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -124.75 -45.17 1.92 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.39 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -176.42 88.84 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.656 -0.783 . . . . 10.0 112.282 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.77 -1.016 . . . . 10.0 112.108 179.657 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 453' ' ' SER . . . . . 0.439 ' HB2' ' OG ' ' D' ' 455' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.477 0.881 0 CA-C-O 120.547 0.213 . . . . 10.0 110.507 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 67.08 14.18 9.72 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.822 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 455' ' ' SER . . . . . 0.439 ' OG ' ' HB2' ' D' ' 453' ' ' SER . 0.7 OUTLIER -60.47 -43.45 96.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.043 0.449 . . . . 10.0 111.105 -179.712 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -68.52 -41.16 80.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.315 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 59.3 mt -66.23 -38.17 87.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.566 -0.743 . . . . 10.0 110.886 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -63.54 -41.41 98.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.463 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.7 92.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.379 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 41.5 mtt -67.66 -46.01 73.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.949 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.39 -38.56 84.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.682 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -59.92 -35.46 74.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.256 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -68.77 -39.04 80.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.026 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 61.4 mt -67.5 -34.63 69.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.668 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 -63.84 -23.6 67.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.581 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -80.64 -19.39 45.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.447 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 467' ' ' MET . . . . . 0.515 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 62.6 mmm -85.27 -49.45 8.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.02 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 468' ' ' PHE . . . . . 0.47 ' O ' HG13 ' D' ' 471' ' ' VAL . 0.5 OUTLIER -124.11 91.34 49.72 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.979 179.299 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -78.54 41.64 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.805 2.337 . . . . 10.0 112.942 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -147.37 18.3 1.19 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.072 0.463 . . . . 10.0 110.709 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 471' ' ' VAL . . . . . 0.47 HG13 ' O ' ' D' ' 468' ' ' PHE . 10.6 p -115.51 133.12 22.81 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.846 -0.616 . . . . 10.0 109.941 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 472' ' ' PRO . . . . . 0.42 ' HB3' ' CE1' ' D' ' 474' ' ' HIS . 52.5 Cg_exo -56.05 116.26 3.05 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.549 2.166 . . . . 10.0 112.224 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -54.89 -38.31 67.39 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.964 -179.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 474' ' ' HIS . . . . . 0.42 ' CE1' ' HB3' ' D' ' 472' ' ' PRO . 12.2 p-80 -64.0 -25.81 68.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.578 -0.283 . . . . 10.0 111.485 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 39.7 mt -85.55 -29.34 24.25 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.067 -0.346 . . . . 10.0 110.067 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 58.5 t -65.76 -40.92 89.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 108.808 -0.812 . . . . 10.0 108.808 178.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 49.1 mt -66.14 -26.78 67.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.519 -0.764 . . . . 10.0 110.637 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.34 -49.36 74.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.064 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -74.95 -28.46 60.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.972 0.415 . . . . 10.0 110.295 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.17 -25.48 67.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.999 0.428 . . . . 10.0 110.258 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -92.83 -2.67 55.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.184 0.516 . . . . 10.0 110.078 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -103.89 -68.18 0.86 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.547 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.94 -41.01 37.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.081 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 63.06 37.58 11.5 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.89 -0.595 . . . . 10.0 111.508 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 50.6 m -155.94 109.21 2.71 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.037 -0.357 . . . . 10.0 110.037 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 5.2 m -45.65 -36.9 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 113.396 0.888 . . . . 10.0 113.396 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -64.12 -65.22 0.71 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.033 0.444 . . . . 10.0 111.08 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 16.3 mt -58.29 -35.9 55.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.452 -0.795 . . . . 10.0 112.026 -179.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 33.0 m -65.64 -63.23 1.14 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.039 -0.528 . . . . 10.0 112.251 -178.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 3.3 m -57.0 -39.05 73.95 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.186 0.439 . . . . 10.0 112.186 -177.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 491' ' ' ASP . . . . . 0.497 ' CG ' ' HA ' ' B' ' 72' ' ' ARG . 5.3 t0 -62.72 -57.68 10.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.906 0.384 . . . . 10.0 111.844 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -64.52 -22.43 66.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.387 -178.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 11.6 mt -64.18 -37.0 78.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 178.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.96 -23.0 66.11 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.949 -0.568 . . . . 10.0 111.013 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -85.42 -3.12 58.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.535 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 95.31 31.56 7.5 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.504 -0.855 . . . . 10.0 112.502 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -73.95 -34.03 64.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.463 0.649 . . . . 10.0 109.316 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 1.4 mp -104.92 134.43 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 108.537 -0.912 . . . . 10.0 108.537 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -61.65 116.78 5.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.92 0.391 . . . . 10.0 110.923 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 30.1 m -71.94 156.97 90.36 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.835 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -69.37 91.26 0.47 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.746 2.298 . . . . 10.0 111.931 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -100.14 132.93 21.93 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.919 -0.582 . . . . 10.0 109.921 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.79 132.42 45.15 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.646 2.231 . . . . 10.0 112.289 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 11.9 t . . . . . 0 C--O 1.252 1.192 0 CA-C-O 118.567 -0.73 . . . . 10.0 109.749 179.705 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 109.916 -0.401 . . . . 10.0 109.916 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -107.84 131.55 54.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.914 0.388 . . . . 10.0 111.375 -179.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.4 pt -121.92 151.53 25.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.974 -0.557 . . . . 10.0 109.543 178.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -113.25 119.57 38.17 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.717 0.294 . . . . 10.0 110.879 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 63.9 t -105.49 121.21 57.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.268 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -97.17 138.92 33.93 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.044 0.449 . . . . 10.0 110.793 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.409 ' OG1' ' HB3' ' A' ' 11' ' ' LYS . 9.2 p -105.77 168.84 8.84 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.012 179.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.3 mt -59.44 -29.31 67.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 10.0 111.456 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.8 -5.62 57.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.773 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.46 -9.65 71.53 Favored Glycine 0 C--N 1.33 0.209 0 C-N-CA 120.741 -0.743 . . . . 10.0 112.948 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.409 ' HB3' ' OG1' ' A' ' 7' ' ' THR . 27.8 tttp -62.61 125.38 23.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.636 0.255 . . . . 10.0 110.411 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.1 m -102.23 113.76 27.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.816 0.341 . . . . 10.0 110.634 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.0 mt -103.23 124.33 57.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.773 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 m -94.58 125.85 39.49 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.61 -0.515 . . . . 10.0 109.61 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.5 mt -122.34 140.73 52.33 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.743 0.306 . . . . 10.0 111.147 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -93.9 111.79 23.54 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 108.991 -0.744 . . . . 10.0 108.991 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 22.9 m -134.8 176.06 9.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.427 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -132.75 160.25 69.21 Favored Pre-proline 0 C--N 1.319 -0.722 0 N-CA-C 109.07 -0.715 . . . . 10.0 109.07 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.9 -27.95 56.29 Favored 'Trans proline' 0 N--CA 1.474 0.354 0 C-N-CA 122.646 2.231 . . . . 10.0 113.572 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.19 5.35 41.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.477 -0.328 . . . . 10.0 111.785 -179.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -80.73 140.72 35.41 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.745 0.307 . . . . 10.0 110.225 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.461 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -87.6 148.0 25.04 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.571 -179.699 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.1 mm -57.96 -37.12 59.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.922 0.392 . . . . 10.0 110.062 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -59.64 -44.46 93.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.266 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -65.68 -36.29 83.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.883 -0.598 . . . . 10.0 110.161 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 22' ' ' THR . 90.2 t -62.5 -44.64 99.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.987 -0.551 . . . . 10.0 109.97 178.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -66.05 -33.24 75.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.221 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.42 -34.67 78.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.065 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -68.5 -39.91 81.09 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.474 -0.565 . . . . 10.0 109.474 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 55.5 mt -67.65 -34.2 66.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 121.625 0.726 . . . . 10.0 109.35 178.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.466 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 27.3 tt0 -64.55 -30.65 71.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.801 -1.09 . . . . 10.0 110.393 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -86.32 -33.81 20.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.345 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm -69.61 -59.26 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.493 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -94.6 -47.78 6.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.745 0.307 . . . . 10.0 111.425 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.466 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 118.99 -5.14 13.79 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.491 -0.862 . . . . 10.0 112.091 -179.225 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.1 mt -60.68 126.19 84.54 Favored Pre-proline 0 C--N 1.324 -0.51 0 C-N-CA 122.588 0.355 . . . . 10.0 111.234 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -60.86 129.4 28.86 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.476 2.117 . . . . 10.0 111.868 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -52.35 -24.18 20.56 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.367 2.711 . . . . 10.0 113.912 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.12 -35.31 80.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.808 0.337 . . . . 10.0 111.383 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -94.01 -3.67 50.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.835 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -82.02 103.94 12.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.382 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.406 HH22 ' HA ' ' D' ' 472' ' ' PRO . 39.4 ttt180 -107.79 100.03 9.44 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.721 -0.474 . . . . 10.0 109.721 178.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.4 mt -86.87 130.11 34.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.284 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.6 mt -130.75 135.85 59.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.761 -0.654 . . . . 10.0 109.766 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -129.28 109.92 11.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.96 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.49 24.43 14.06 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.916 -0.583 . . . . 10.0 111.786 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.19 -9.34 59.48 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.754 -0.736 . . . . 10.0 112.195 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -90.88 121.75 33.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.361 0.124 . . . . 10.0 110.765 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -76.74 122.1 24.25 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.783 -0.821 . . . . 10.0 108.783 178.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.4 mt -87.37 121.92 30.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.87 0.367 . . . . 10.0 111.642 -178.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.428 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 45.2 mt-10 -84.83 146.58 27.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.641 178.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -61.17 -36.01 78.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.066 -0.515 . . . . 10.0 111.93 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.62 28.5 3.49 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 121.103 -0.57 . . . . 10.0 113.707 -178.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.428 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 17.9 mmt180 -129.52 165.41 21.73 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.823 -0.436 . . . . 10.0 109.823 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.4 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 48.1 p -106.16 172.0 7.04 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.627 -0.509 . . . . 10.0 109.627 178.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.9 mt -67.15 -27.15 67.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.232 0.539 . . . . 10.0 110.388 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.8 m -75.83 -23.18 55.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.938 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.3 m-20 -61.61 -37.84 85.41 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.33 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -102.75 8.12 39.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.446 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 61.23 64.85 1.04 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 123.948 0.78 . . . . 10.0 111.015 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 54.0 mt -112.16 126.93 69.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.048 -0.523 . . . . 10.0 109.895 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -120.48 -170.79 2.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.042 0.448 . . . . 10.0 110.912 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -64.23 155.97 30.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.98 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 70.28 -5.95 1.24 Allowed 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.289 0.636 . . . . 10.0 112.394 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.7 m -72.55 137.43 46.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.882 0.372 . . . . 10.0 110.532 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.9 m -102.19 125.0 48.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.456 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 mp -105.81 158.51 16.69 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.694 -0.684 . . . . 10.0 109.361 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -120.15 137.88 53.91 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 121.04 -0.264 . . . . 10.0 110.384 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.5 tp -117.3 113.51 22.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.122 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.1 t -108.8 136.04 45.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.178 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.5 mt -84.17 101.84 12.15 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.615 -0.266 . . . . 10.0 110.429 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -73.85 84.66 1.69 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.875 0.369 . . . . 10.0 111.033 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 84.7 mt -82.63 125.56 31.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.033 -0.53 . . . . 10.0 110.141 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -114.4 16.71 17.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.094 0.473 . . . . 10.0 110.398 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.65 155.82 27.36 Favored Glycine 0 N--CA 1.446 -0.664 0 CA-C-N 115.79 -0.641 . . . . 10.0 111.675 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.432 ' C ' ' HZ1' ' B' ' 48' ' ' LYS . . . . . . . . 0 C--O 1.247 0.947 0 CA-C-O 119.065 -0.853 . . . . 10.0 111.645 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.2 ptt? . . . . . 0 N--CA 1.475 0.82 0 N-CA-C 109.953 -0.388 . . . . 10.0 109.953 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -93.71 139.86 30.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.954 0.407 . . . . 10.0 111.73 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.5 pt -127.74 148.17 32.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.477 -0.783 . . . . 10.0 109.571 178.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -105.42 109.78 21.89 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.9 0.381 . . . . 10.0 110.573 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -93.47 117.4 36.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.273 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.486 ' HZ1' ' CD ' ' D' ' 466' ' ' GLU . 19.0 tptm -92.97 132.36 37.13 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.759 -0.459 . . . . 10.0 109.759 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 33.2 p -114.87 161.34 18.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.784 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 24.3 mt -69.57 -14.79 63.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.975 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.47 -4.41 58.92 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.847 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.96 26.63 48.54 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.996 -0.621 . . . . 10.0 112.617 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.449 ' HZ2' ' CD ' ' B' ' 34' ' ' GLU . 81.7 tttt -112.3 124.57 52.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.633 0.254 . . . . 10.0 110.547 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -95.27 113.1 24.74 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 6.8 mt -97.21 125.25 50.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.147 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.24 114.48 26.58 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.782 -0.645 . . . . 10.0 109.652 179.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 93.9 mt -116.24 143.83 45.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.125 0.488 . . . . 10.0 112.113 -178.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -95.4 109.12 21.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.269 -0.878 . . . . 10.0 108.74 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 18.9 m -134.63 173.01 15.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.101 0.477 . . . . 10.0 111.027 -178.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.577 ' O ' HD11 ' B' ' 56' ' ' LEU . 56.8 mm-40 -131.1 152.57 80.88 Favored Pre-proline 0 C--N 1.317 -0.839 0 N-CA-C 108.607 -0.886 . . . . 10.0 108.607 178.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.29 -31.15 65.62 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.357 2.038 . . . . 10.0 112.259 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -84.01 5.95 23.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.778 -0.646 . . . . 10.0 112.257 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -84.24 137.93 33.22 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.886 -0.412 . . . . 10.0 109.886 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.6 m -80.63 144.37 32.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.768 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.419 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 45.6 mm -56.38 -40.38 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 CA-C-N 116.566 -0.288 . . . . 10.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -56.62 -38.17 71.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.038 0.446 . . . . 10.0 110.59 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.439 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 66.3 t30 -68.56 -36.55 78.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.075 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.421 ' O ' HG13 ' B' ' 30' ' ' ILE . 46.6 t -65.04 -39.16 84.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 178.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' B' ' 23' ' ' ILE . 7.4 mmmm -61.21 -39.05 88.79 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.78 -0.646 . . . . 10.0 109.932 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.51 ' O ' ' HG2' ' B' ' 31' ' ' GLN . . . -66.87 -37.85 85.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.531 -0.759 . . . . 10.0 110.489 179.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 96.3 mttt -63.2 -30.54 71.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.09 0.471 . . . . 10.0 110.036 179.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.421 HG13 ' O ' ' B' ' 26' ' ' VAL . 73.3 mt -72.45 -32.19 41.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.122 -0.49 . . . . 10.0 109.825 178.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.51 ' HG2' ' O ' ' B' ' 28' ' ' ALA . 4.7 pt20 -77.81 -23.84 48.94 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 178.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -77.27 -44.61 29.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.367 -0.833 . . . . 10.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.1 mttm -87.13 -58.94 2.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.147 -0.479 . . . . 10.0 111.974 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.449 ' CD ' ' HZ2' ' B' ' 11' ' ' LYS . 16.2 mm-40 -74.48 -56.38 4.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.668 0.271 . . . . 10.0 110.695 -179.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.54 6.15 17.84 Favored Glycine 0 C--O 1.228 -0.247 0 C-N-CA 120.708 -0.758 . . . . 10.0 112.758 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.5 mt -86.32 126.31 65.09 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 110.192 -0.299 . . . . 10.0 110.192 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.43 127.98 26.09 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.962 2.441 . . . . 10.0 112.15 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.548 ' HA ' ' CD ' ' B' ' 41' ' ' GLN . 79.9 Cg_exo -49.31 -37.43 40.26 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.547 2.831 . . . . 10.0 113.832 -179.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -62.84 -24.08 67.61 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.927 -0.579 . . . . 10.0 112.225 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -96.0 -5.69 40.59 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.309 0.485 . . . . 10.0 112.309 -178.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.548 ' CD ' ' HA ' ' B' ' 38' ' ' PRO . 0.6 OUTLIER -95.38 139.72 31.28 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.596 -0.441 . . . . 10.0 110.696 -179.461 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -124.49 99.09 6.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.28 -0.418 . . . . 10.0 109.911 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 16.8 mt -79.9 127.19 31.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.333 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mp -120.3 139.67 46.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.541 -0.754 . . . . 10.0 109.967 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -137.48 123.47 20.23 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.356 -0.609 . . . . 10.0 109.356 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.4 17.56 10.39 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.645 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.43 -6.44 52.92 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.829 -0.7 . . . . 10.0 113.512 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.432 ' HZ1' ' C ' ' A' ' 76' ' ' GLY . 52.4 mtmt -117.41 151.75 36.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 117.207 0.504 . . . . 10.0 111.403 -179.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.33 146.52 32.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.141 -179.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 24.4 mt -95.27 150.77 19.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.326 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -97.03 137.82 35.51 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 178.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -58.67 -37.65 76.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.504 -0.316 . . . . 10.0 111.362 -179.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.94 38.3 3.19 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.112 -0.566 . . . . 10.0 113.26 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.407 ' O ' HG12 ' B' ' 23' ' ' ILE . 75.4 mmt-85 -131.67 163.17 28.71 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 179.038 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.452 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 0.0 OUTLIER -104.14 160.3 14.97 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.723 -179.592 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.577 HD11 ' O ' ' B' ' 18' ' ' GLU . 91.4 mt -61.56 -35.1 76.85 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.706 0.288 . . . . 10.0 111.115 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 4.8 m -64.34 -26.83 68.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.463 -0.335 . . . . 10.0 111.497 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.452 ' HB2' ' O ' ' B' ' 55' ' ' THR . 6.2 m-20 -60.17 -36.99 78.83 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.067 0.46 . . . . 10.0 110.919 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -98.72 9.07 44.14 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.681 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 57.95 38.72 26.94 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.586 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 82.0 mt -75.75 110.51 10.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.936 0.398 . . . . 10.0 110.221 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -90.3 179.89 5.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.71 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -77.43 152.2 34.4 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.617 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 63.03 39.59 9.98 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.031 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 19.1 m -107.17 164.42 12.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.705 -0.679 . . . . 10.0 110.415 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.9 m -108.65 133.38 52.83 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.7 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.3 mp -116.11 145.87 42.69 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.194 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.5 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 36.4 m80 -98.56 114.36 26.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.428 -0.351 . . . . 10.0 111.17 -179.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 47.4 tp -98.05 90.31 4.84 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.294 -0.632 . . . . 10.0 109.294 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.428 ' CG1' ' HB ' ' D' ' 490' ' ' THR . 59.8 t -82.61 140.64 16.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.962 -0.563 . . . . 10.0 111.101 -178.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 34.6 mt -88.95 162.77 15.89 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.539 -0.755 . . . . 10.0 109.604 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.542 ' HE ' ' CG ' ' D' ' 491' ' ' ASP . 0.0 OUTLIER -151.0 148.84 28.86 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 121.064 -0.254 . . . . 10.0 110.837 -179.048 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 5.7 mp -131.04 -73.57 0.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.325 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.4 ' HD2' ' O ' ' B' ' 75' ' ' GLY . 8.6 tmm_? -174.38 124.29 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.651 -0.704 . . . . 10.0 109.561 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . 0.4 ' O ' ' HD2' ' B' ' 74' ' ' ARG . . . -97.19 -125.74 5.15 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.373 -0.917 . . . . 10.0 111.716 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.409 -1.217 . . . . 10.0 111.857 179.514 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 N--CA 1.478 0.965 0 CA-C-O 120.388 0.137 . . . . 10.0 110.703 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 7.5 t30 60.06 27.91 17.39 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.057 0.456 . . . . 10.0 111.373 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.29 -42.93 92.62 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.069 -0.514 . . . . 10.0 112.245 -178.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -66.48 -42.72 87.04 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.11 -0.236 . . . . 10.0 111.569 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 8.0 mt -62.34 -42.88 99.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.649 -0.25 . . . . 10.0 110.386 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -62.12 -46.32 89.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.469 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -59.66 -44.28 93.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 10.0 111.295 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 48.8 mtm -66.02 -40.44 91.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.734 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -67.59 -32.86 73.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.628 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -58.5 -45.85 87.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.584 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 463' ' ' GLN . . . . . 0.563 ' O ' ' HG2' ' D' ' 467' ' ' MET . 0.4 OUTLIER -63.75 -39.24 93.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.701 179.657 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 88.0 mt -67.04 -35.25 74.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.379 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 15.4 tp60 -63.78 -32.31 73.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.175 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . 0.486 ' CD ' ' HZ1' ' B' ' 6' ' ' LYS . 29.5 mt-10 -69.69 -37.33 76.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.094 178.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 467' ' ' MET . . . . . 0.563 ' HG2' ' O ' ' D' ' 463' ' ' GLN . 67.0 mmm -73.84 -44.18 56.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.499 -0.773 . . . . 10.0 111.187 -179.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 468' ' ' PHE . . . . . 0.578 ' O ' HG13 ' D' ' 471' ' ' VAL . 37.5 m-85 -116.86 91.56 35.83 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-O 121.008 0.432 . . . . 10.0 110.023 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -68.15 -19.96 44.26 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 123.004 2.469 . . . . 10.0 113.567 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 15.0 pm0 -90.09 -12.36 38.63 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.032 0.382 . . . . 10.0 112.032 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 471' ' ' VAL . . . . . 0.578 HG13 ' O ' ' D' ' 468' ' ' PHE . 2.1 p -83.12 139.9 42.51 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 120.578 0.228 . . . . 10.0 110.654 -179.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 472' ' ' PRO . . . . . 0.406 ' HA ' HH22 ' A' ' 42' ' ' ARG . 53.7 Cg_endo -83.18 131.66 5.89 Favored 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 122.111 1.874 . . . . 10.0 112.52 178.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -48.51 -42.54 33.35 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.151 -0.931 . . . . 10.0 113.354 -178.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -64.1 -36.02 82.66 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 112.12 0.415 . . . . 10.0 112.12 -177.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 475' ' ' LEU . . . . . 0.444 ' O ' ' HB3' ' D' ' 478' ' ' GLN . 21.0 mt -75.29 -28.67 59.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.796 0.332 . . . . 10.0 110.457 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 62.2 t -66.62 -45.4 88.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.445 -0.576 . . . . 10.0 109.445 178.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 55.4 mt -63.0 -27.09 69.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.534 -0.757 . . . . 10.0 110.528 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 478' ' ' GLN . . . . . 0.444 ' HB3' ' O ' ' D' ' 475' ' ' LEU . 0.0 OUTLIER -61.55 -50.03 74.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.019 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -69.73 -34.97 74.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.343 -0.39 . . . . 10.0 110.412 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.7 -25.05 64.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.413 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -79.28 -15.05 58.58 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.467 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -110.18 -43.81 3.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.758 0.313 . . . . 10.0 111.738 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 69.5 p -89.71 -41.56 11.84 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.578 0.228 . . . . 10.0 111.312 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? 63.55 24.43 14.02 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.379 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 2.2 t -142.15 122.87 14.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.527 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 31.1 m -62.97 -27.81 43.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.963 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -67.9 -38.09 82.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.612 -0.722 . . . . 10.0 111.008 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 31.6 mt -85.01 -30.42 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.453 -0.339 . . . . 10.0 110.84 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 90.2 m -63.95 -48.47 76.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.53 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 490' ' ' THR . . . . . 0.428 ' HB ' ' CG1' ' B' ' 70' ' ' VAL . 3.2 p -66.13 -32.16 73.44 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.085 0.469 . . . . 10.0 109.9 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 491' ' ' ASP . . . . . 0.542 ' CG ' ' HE ' ' B' ' 72' ' ' ARG . 12.9 t0 -62.18 -54.84 35.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.266 -0.879 . . . . 10.0 109.166 178.123 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 492' ' ' ASN . . . . . 0.411 ' HB3' ' HB3' ' D' ' 497' ' ' ARG . 67.1 m-20 -57.11 -35.3 69.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.501 -1.227 . . . . 10.0 111.726 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 96.6 mt -73.7 -41.47 54.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 10.0 111.112 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -26.01 67.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.2 -0.455 . . . . 10.0 111.413 -179.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -86.29 -77.96 0.3 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.065 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 167.2 29.96 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.201 -0.999 . . . . 10.0 113.148 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 497' ' ' ARG . . . . . 0.411 ' HB3' ' HB3' ' D' ' 492' ' ' ASN . 5.7 tpp180 -74.96 -49.43 20.05 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 3.6 mp -86.38 122.46 38.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.145 -0.934 . . . . 10.0 108.755 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -65.99 109.81 2.69 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.852 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 28.4 m -62.38 158.47 47.92 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 115.375 -0.829 . . . . 10.0 111.053 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -61.85 97.74 0.16 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.832 2.354 . . . . 10.0 112.547 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -93.74 131.65 31.65 Favored Pre-proline 0 N--CA 1.451 -0.411 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.849 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -70.47 89.26 0.6 Allowed 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.504 2.136 . . . . 10.0 112.543 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 6.6 t . . . . . 0 C--O 1.251 1.177 0 CA-C-O 118.491 -0.766 . . . . 10.0 110.531 179.586 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.485 1.308 0 N-CA-C 110.26 -0.274 . . . . 10.0 110.26 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 -104.33 136.55 43.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.785 0.326 . . . . 10.0 111.407 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.2 pt -130.04 168.56 22.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.503 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.423 ' O ' ' HA ' ' A' ' 66' ' ' THR . 45.9 m-85 -126.83 128.83 47.16 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.524 -0.307 . . . . 10.0 110.428 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.0 t -108.84 120.85 60.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -103.95 139.51 39.0 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.155 0.502 . . . . 10.0 111.317 -178.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.9 p -104.9 168.54 8.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.498 -0.773 . . . . 10.0 110.592 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.7 mt -67.24 -25.64 66.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.426 -0.352 . . . . 10.0 111.237 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.33 -15.04 62.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.079 -0.509 . . . . 10.0 111.822 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.51 21.5 21.75 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.582 -0.818 . . . . 10.0 112.078 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.0 tttp -105.14 136.45 44.6 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.829 0.347 . . . . 10.0 110.417 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.6 m -109.18 123.92 50.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.368 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.0 mt -104.85 132.24 52.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.521 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -89.01 133.97 34.15 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.958 -0.386 . . . . 10.0 109.958 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.4 mt -139.27 135.62 34.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.079 0.466 . . . . 10.0 111.655 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -93.12 116.92 29.49 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.39 -0.823 . . . . 10.0 108.893 178.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.6 m -136.16 173.26 14.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.142 -178.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.539 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 6.8 mm-40 -131.98 161.06 64.93 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.638 -0.71 . . . . 10.0 109.294 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.87 -27.91 74.59 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.079 1.853 . . . . 10.0 112.003 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.81 -3.2 56.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.55 -0.75 . . . . 10.0 111.452 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.539 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -70.5 128.84 37.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.92 0.39 . . . . 10.0 110.332 -179.872 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.51 148.43 26.53 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.057 -0.519 . . . . 10.0 109.744 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.1 mm -56.11 -39.02 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.737 0.303 . . . . 10.0 110.701 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -60.41 -35.23 75.28 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.681 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -71.1 -37.4 72.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.83 0.348 . . . . 10.0 110.065 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.8 t -62.14 -40.37 87.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.49 -0.559 . . . . 10.0 109.49 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -60.82 -40.63 93.46 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.686 -0.688 . . . . 10.0 109.892 178.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.96 -39.85 90.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.636 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -63.1 -36.61 84.18 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.018 0.437 . . . . 10.0 110.155 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 97.4 mt -67.95 -38.48 80.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.989 -0.55 . . . . 10.0 109.896 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -71.16 -31.12 67.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.912 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.89 -43.82 82.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.069 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -82.61 -59.13 2.62 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.442 0.534 . . . . 10.0 112.442 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -81.14 -50.83 9.13 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.387 0.514 . . . . 10.0 112.387 -178.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.32 21.13 8.17 Favored Glycine 0 C--N 1.322 -0.219 0 C-N-CA 120.378 -0.915 . . . . 10.0 112.636 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.9 mt -87.81 128.75 53.08 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 110.114 -0.328 . . . . 10.0 110.114 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -55.07 132.06 50.08 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.659 2.239 . . . . 10.0 111.687 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -60.67 -24.46 78.63 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.696 2.264 . . . . 10.0 112.774 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -66.63 -33.89 76.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.073 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -95.12 6.33 49.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.037 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -94.19 115.23 27.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.046 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -120.83 98.16 5.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.195 0.521 . . . . 10.0 109.625 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.0 mt -84.52 132.04 34.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.648 -0.706 . . . . 10.0 111.732 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 74.3 mt -129.03 137.26 57.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.527 -0.76 . . . . 10.0 109.436 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -137.33 125.99 23.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.517 0.198 . . . . 10.0 110.809 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.96 26.96 15.65 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.911 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.407 ' HA2' ' CZ ' ' D' ' 473' ' ' TYR . . . 83.0 17.35 67.59 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.665 -0.779 . . . . 10.0 112.847 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -127.44 133.47 49.93 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.907 -0.405 . . . . 10.0 109.907 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -74.92 132.54 41.52 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.876 0.37 . . . . 10.0 110.234 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.5 mt -85.94 123.67 31.54 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.088 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -86.59 138.52 31.63 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.035 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.66 -33.13 69.75 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.71 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.89 41.3 2.99 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.012 -0.613 . . . . 10.0 112.372 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 77.4 mmt-85 -140.58 160.76 39.32 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.633 -0.506 . . . . 10.0 109.633 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.533 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -104.72 171.49 7.29 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.521 -0.309 . . . . 10.0 110.388 179.478 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.401 HD11 ' O ' ' A' ' 18' ' ' GLU . 62.7 mt -64.98 -38.12 89.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.735 0.302 . . . . 10.0 111.417 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.96 -20.1 66.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.506 -0.315 . . . . 10.0 111.533 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.533 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.9 m-20 -63.03 -36.36 83.32 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.935 0.398 . . . . 10.0 111.116 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -107.39 19.12 20.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.071 -178.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 60.06 31.75 20.73 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.674 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.9 mt -75.97 115.64 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.018 0.437 . . . . 10.0 110.124 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -115.06 -161.58 0.78 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.521 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 31.9 pttt -72.23 147.82 46.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.44 -0.345 . . . . 10.0 111.256 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 70.64 13.51 7.28 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.314 0.646 . . . . 10.0 111.798 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.4 m -77.07 133.31 39.1 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.807 0.337 . . . . 10.0 110.277 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 19.6 m -100.71 114.23 27.79 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.3 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.4 mp -95.6 136.37 36.09 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.587 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -99.74 130.4 45.95 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.968 0.413 . . . . 10.0 110.749 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.8 tp -108.19 102.67 11.8 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.578 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.4 t -89.9 121.58 40.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.993 -0.549 . . . . 10.0 109.678 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 24.5 mt -82.83 119.79 24.82 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.22 -0.446 . . . . 10.0 110.372 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.58 91.89 4.02 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.707 -0.479 . . . . 10.0 109.707 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 72.5 mt -75.96 140.64 42.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.545 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 64.1 ttt-85 -153.8 112.47 3.66 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.664 -0.698 . . . . 10.0 109.466 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 102.41 136.36 9.14 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 111.148 -0.781 . . . . 10.0 111.148 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.483 ' C ' ' HZ2' ' B' ' 48' ' ' LYS . . . . . . . . 0 N--CA 1.444 -0.805 0 N-CA-C 111.035 -0.826 . . . . 10.0 111.035 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.757 ' SD ' ' HA ' ' B' ' 63' ' ' LYS . 14.0 ptt? . . . . . 0 N--CA 1.478 0.962 0 N-CA-C 110.159 -0.311 . . . . 10.0 110.159 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.488 ' O ' ' HA ' ' B' ' 64' ' ' GLU . 71.7 mm-40 -106.55 138.76 42.14 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.062 -0.347 . . . . 10.0 110.062 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 25.4 pt -117.91 153.98 19.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 110.198 -0.297 . . . . 10.0 110.198 178.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -107.33 117.48 34.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.91 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 16.9 t -119.17 109.8 27.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.649 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.485 ' HZ3' ' CD ' ' D' ' 466' ' ' GLU . 71.1 tttt -88.68 140.09 29.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.974 0.416 . . . . 10.0 110.953 -179.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.56 168.7 8.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.559 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 25.8 mt -67.93 -5.85 19.07 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 111.942 0.349 . . . . 10.0 111.942 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.31 -9.38 50.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.898 0.38 . . . . 10.0 110.62 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.73 -9.06 68.62 Favored Glycine 0 C--N 1.331 0.26 0 CA-C-N 115.956 -0.565 . . . . 10.0 111.869 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -78.54 139.93 38.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.5 -0.35 . . . . 10.0 110.874 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -105.33 117.23 33.48 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.708 -0.479 . . . . 10.0 109.708 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 10.4 mt -93.87 136.36 25.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.5 -0.318 . . . . 10.0 110.685 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 5.9 m -106.45 126.59 52.44 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.388 -0.597 . . . . 10.0 109.388 178.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 48.7 mt -123.03 142.15 51.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.553 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -94.38 109.91 21.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.373 -0.83 . . . . 10.0 109.222 178.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 19.2 m -141.01 176.59 4.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.315 0.579 . . . . 10.0 111.862 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.42 ' O ' HD12 ' B' ' 56' ' ' LEU . 70.9 mm-40 -131.72 156.98 79.42 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 108.133 -1.062 . . . . 10.0 108.133 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -56.15 -34.86 94.21 Favored 'Trans proline' 0 CA--C 1.531 0.344 0 C-N-CA 122.25 1.967 . . . . 10.0 112.713 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.53 0.13 27.36 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.128 0.418 . . . . 10.0 112.128 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -74.07 141.87 45.68 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.953 -0.388 . . . . 10.0 109.953 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.65 144.51 25.68 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.609 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 51.3 mm -54.48 -36.37 34.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-O 121.078 0.466 . . . . 10.0 110.445 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -57.5 -43.83 84.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.619 -0.718 . . . . 10.0 110.592 178.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -70.99 -34.52 71.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.544 -0.753 . . . . 10.0 110.664 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 96.0 t -62.49 -40.04 86.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.555 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -63.44 -30.48 71.6 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.994 0.426 . . . . 10.0 110.624 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.15 -35.83 76.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.136 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -69.44 -34.2 74.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.177 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 84.8 mt -71.52 -40.46 71.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.858 -0.423 . . . . 10.0 109.858 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.447 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 65.4 tt0 -66.64 -24.98 66.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.222 0.534 . . . . 10.0 110.224 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -77.95 -21.66 50.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.84 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -103.32 -59.52 1.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.633 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -80.69 -27.22 37.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.536 -178.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 83.91 9.29 82.9 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.597 -0.811 . . . . 10.0 112.92 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 66.5 mt -82.84 126.8 72.06 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 110.625 -0.139 . . . . 10.0 110.625 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_exo -58.89 147.83 87.32 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.509 2.14 . . . . 10.0 112.096 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -63.14 -15.36 47.52 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.596 2.197 . . . . 10.0 112.222 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.45 -32.43 62.61 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.064 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -94.64 -1.98 52.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.124 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -90.06 105.99 18.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.604 -0.725 . . . . 10.0 112.005 -178.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 -113.63 101.97 9.83 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.642 -0.874 . . . . 10.0 108.642 177.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 23.9 mt -87.29 130.91 34.42 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.142 -177.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.47 ' HA ' ' O ' ' B' ' 48' ' ' LYS . 1.4 mp -123.38 137.77 55.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.473 -0.785 . . . . 10.0 110.908 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -133.54 121.7 22.51 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.721 -0.844 . . . . 10.0 108.721 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.25 18.23 11.16 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.605 0.566 . . . . 10.0 111.251 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.44 10.11 57.22 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 121.093 -0.575 . . . . 10.0 113.509 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.483 ' HZ2' ' C ' ' A' ' 76' ' ' GLY . 8.3 mtmt -126.92 161.02 29.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 117.045 0.423 . . . . 10.0 110.769 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -85.45 152.44 23.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.825 0.345 . . . . 10.0 111.296 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 48.2 mt -102.68 152.3 21.37 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.235 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -95.63 147.95 23.04 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.901 -0.407 . . . . 10.0 109.901 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.91 -53.0 62.64 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.844 0.354 . . . . 10.0 111.387 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.53 52.56 4.57 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.982 -0.627 . . . . 10.0 113.118 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -140.49 150.75 44.15 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.107 -0.331 . . . . 10.0 110.107 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 43.6 p -102.72 168.25 9.37 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.172 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.42 HD12 ' O ' ' B' ' 18' ' ' GLU . 68.1 mt -66.67 -31.7 72.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.059 0.457 . . . . 10.0 110.517 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -24.88 65.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.051 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -63.91 -34.05 77.08 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.214 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -96.64 7.3 46.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.09 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 65.86 34.86 6.99 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.062 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 95.9 mt -78.41 135.43 26.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.408 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -101.59 -170.2 1.79 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.029 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.757 ' HA ' ' SD ' ' B' ' 1' ' ' MET . 55.2 pttt -75.69 146.75 39.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.13 -0.487 . . . . 10.0 111.65 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.488 ' HA ' ' O ' ' B' ' 2' ' ' GLN . 30.2 mt-10 54.31 43.79 29.96 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.654 -0.703 . . . . 10.0 112.106 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 55.8 m -88.54 162.57 16.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.039 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.1 m -106.95 133.24 51.91 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.623 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.5 mp -122.57 153.64 38.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.119 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.575 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 35.4 m170 -101.84 132.05 47.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.601 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 53.4 tp -110.91 95.62 5.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.126 0.489 . . . . 10.0 110.311 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 54.0 t -81.35 121.6 35.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.789 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 62.4 mt -86.29 126.42 34.3 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.51 143.04 50.91 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.898 0.38 . . . . 10.0 110.95 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 mt -110.83 117.5 33.59 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.497 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.415 ' HA ' ' HD3' ' B' ' 74' ' ' ARG . 5.4 mmt180 -132.04 99.57 4.77 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 178.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.27 21.61 51.28 Favored Glycine 0 N--CA 1.443 -0.878 0 N-CA-C 110.692 -0.963 . . . . 10.0 110.692 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.222 0 CA-C-O 118.621 -1.1 . . . . 10.0 111.545 -179.617 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.478 0.948 0 CA-C-O 120.482 0.182 . . . . 10.0 111.184 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 68.3 16.71 9.3 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 122.966 0.506 . . . . 10.0 111.641 179.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 4.9 m -56.03 -54.37 45.79 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.797 0.665 . . . . 10.0 112.797 -178.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -70.35 -38.53 74.83 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.753 0.279 . . . . 10.0 111.753 -178.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 95.1 mt -62.42 -43.91 97.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.689 0.281 . . . . 10.0 111.009 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -62.87 -43.76 97.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.809 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -59.99 -44.07 94.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.373 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 71.0 mtm -68.54 -40.43 80.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.099 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -68.07 -29.36 68.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.791 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -58.21 -44.92 88.39 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.76 0.281 . . . . 10.0 111.76 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.22 -32.95 67.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.143 0.497 . . . . 10.0 111.409 -179.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 62.2 mt -75.07 -37.22 40.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.055 -0.521 . . . . 10.0 110.016 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 -64.12 -32.13 73.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.292 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . 0.485 ' CD ' ' HZ3' ' B' ' 6' ' ' LYS . 63.1 mt-10 -68.11 -31.17 70.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.334 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 467' ' ' MET . . . . . 0.575 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 59.9 mtm -88.88 -24.68 22.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.901 0.381 . . . . 10.0 111.427 -179.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 468' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -129.15 85.5 59.53 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-O 121.163 0.506 . . . . 10.0 110.346 178.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -79.03 32.38 0.47 Allowed 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 122.66 2.24 . . . . 10.0 113.352 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.05 -2.27 2.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.755 -0.202 . . . . 10.0 111.53 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 471' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.45 130.65 22.71 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 110.458 -0.201 . . . . 10.0 110.458 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 472' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -57.66 133.57 57.35 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 122.778 2.319 . . . . 10.0 112.776 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 473' ' ' TYR . . . . . 0.407 ' CZ ' ' HA2' ' A' ' 47' ' ' GLY . 3.1 t80 -54.62 -42.86 71.69 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.664 -0.698 . . . . 10.0 112.185 -179.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 54.4 p-80 -65.69 -23.67 66.83 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.842 0.312 . . . . 10.0 111.842 -178.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 475' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' D' ' 478' ' ' GLN . 15.6 mt -78.27 -30.88 48.79 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.739 -0.467 . . . . 10.0 109.739 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 23.6 t -73.06 -40.58 58.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.725 -0.671 . . . . 10.0 109.392 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 52.0 mt -62.65 -24.76 67.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.428 179.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 478' ' ' GLN . . . . . 0.442 HE21 ' HB3' ' D' ' 478' ' ' GLN . 4.1 tt0 -65.19 -56.7 11.35 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.582 -0.735 . . . . 10.0 110.716 179.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -64.91 -30.42 71.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.29 -0.413 . . . . 10.0 110.72 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 480' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' D' ' 484' ' ' ARG . 0.4 OUTLIER -61.09 -23.41 65.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.846 179.314 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -94.66 -3.59 49.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.049 0.452 . . . . 10.0 110.587 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -104.6 -57.87 1.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.178 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 80.3 p -87.57 -35.68 17.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.752 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 484' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' D' ' 480' ' ' LEU . 40.3 mtt180 64.61 17.55 10.95 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.581 -0.736 . . . . 10.0 111.166 179.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 1.6 m -138.21 122.15 17.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.356 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 16.2 m -60.85 -27.71 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.639 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -69.18 -12.8 61.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.104 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 34.6 mt -107.2 -46.23 7.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 21.8 m -54.48 -49.42 70.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.943 -0.571 . . . . 10.0 112.368 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 3.1 m -60.33 -44.39 95.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.533 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 491' ' ' ASP . . . . . 0.49 ' O ' ' HG2' ' D' ' 495' ' ' GLU . 28.7 t70 -68.29 -42.21 79.83 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 179.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 492' ' ' ASN . . . . . 0.417 ' HB3' ' HB3' ' D' ' 497' ' ' ARG . 17.8 m-20 -51.27 -38.8 54.75 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.415 -0.811 . . . . 10.0 111.544 178.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 92.0 mt -65.51 -43.41 94.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.821 0.343 . . . . 10.0 110.543 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 12.2 mt -66.96 -25.82 66.52 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 495' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' D' ' 491' ' ' ASP . 10.5 mm-40 -80.75 -47.48 13.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.339 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 130.45 13.71 2.05 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.477 -0.868 . . . . 10.0 112.39 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 497' ' ' ARG . . . . . 0.417 ' HB3' ' HB3' ' D' ' 492' ' ' ASN . 18.4 tpp180 -65.82 -41.98 91.16 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.756 -0.831 . . . . 10.0 108.756 178.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 4.4 mp -99.91 118.83 47.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.21 -1.033 . . . . 10.0 108.21 178.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -66.7 136.02 54.91 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.096 0.474 . . . . 10.0 111.301 -179.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 29.8 m -81.87 164.6 47.97 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.489 -0.778 . . . . 10.0 109.991 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -65.96 79.43 0.28 Allowed 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.484 2.123 . . . . 10.0 112.101 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -70.42 119.64 73.63 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.495 -0.775 . . . . 10.0 110.569 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -67.26 107.49 1.38 Allowed 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.464 2.11 . . . . 10.0 111.439 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.413 -0.803 . . . . 10.0 110.056 -179.572 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.479 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 24.1 ptt? . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 110.193 -0.299 . . . . 10.0 110.193 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -95.64 143.21 27.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.743 0.306 . . . . 10.0 111.307 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.5 pt -128.37 154.08 38.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.796 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -107.18 106.32 16.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.573 -0.285 . . . . 10.0 111.037 -179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.5 t -92.78 115.6 31.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.874 -0.417 . . . . 10.0 109.874 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.6 mttt -102.61 133.36 47.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.35 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.3 p -104.78 172.42 6.8 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.024 179.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.8 mt -58.53 -38.76 78.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.477 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.09 -10.49 59.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.775 -0.648 . . . . 10.0 112.218 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.8 0.09 62.49 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.468 -0.872 . . . . 10.0 112.73 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.408 ' HZ1' ' CD ' ' A' ' 34' ' ' GLU . 85.9 tttt -69.75 117.61 11.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.878 0.37 . . . . 10.0 110.021 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -97.93 118.82 35.36 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.426 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.0 mt -109.1 126.29 66.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.69 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.23 113.5 25.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.595 179.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.5 mt -114.75 147.33 39.87 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.54 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -101.14 115.63 30.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.219 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.479 ' O ' ' HG2' ' A' ' 1' ' ' MET . 15.4 m -139.74 175.6 6.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.784 -0.644 . . . . 10.0 109.832 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.466 ' O ' HD13 ' A' ' 56' ' ' LEU . 8.5 mm-40 -127.5 156.07 75.8 Favored Pre-proline 0 C--N 1.32 -0.716 0 N-CA-C 109.281 -0.637 . . . . 10.0 109.281 179.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -51.51 -41.09 61.98 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.364 2.043 . . . . 10.0 112.93 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.62 7.43 4.57 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.737 0.644 . . . . 10.0 112.737 -178.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -80.33 158.82 25.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.914 0.388 . . . . 10.0 110.215 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 m -98.93 145.13 27.34 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.566 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.437 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 46.2 mm -55.92 -37.52 48.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.792 0.33 . . . . 10.0 110.699 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -57.8 -42.22 83.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.697 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.471 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 61.8 t30 -64.0 -36.48 84.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.115 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.7 t -62.92 -42.0 94.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.417 -0.586 . . . . 10.0 109.417 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 5.3 mmmm -61.41 -39.83 92.18 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.589 -0.732 . . . . 10.0 109.622 179.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.6 -39.05 91.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.529 -0.76 . . . . 10.0 110.768 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 58.0 mttt -65.0 -37.14 86.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.095 0.474 . . . . 10.0 110.012 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 95.8 mt -68.95 -35.35 68.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.413 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 64.8 tt0 -71.65 -29.36 64.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.99 178.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -73.16 -35.52 66.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.454 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -84.65 -62.98 1.42 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.82 -0.627 . . . . 10.0 111.725 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.408 ' CD ' ' HZ1' ' A' ' 11' ' ' LYS . 44.0 mm-40 -77.84 -57.72 3.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.003 0.43 . . . . 10.0 111.247 -179.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 116.98 11.45 9.1 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.677 -0.773 . . . . 10.0 112.351 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.9 mt -85.94 125.6 68.1 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -55.5 142.72 80.39 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.521 2.147 . . . . 10.0 112.174 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -56.94 -28.04 75.93 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.008 2.472 . . . . 10.0 112.958 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.32 -22.35 64.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.424 ' HA ' ' HB3' ' A' ' 72' ' ' ARG . 75.6 mt-30 -104.11 6.46 35.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.345 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -99.56 115.93 30.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.862 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -110.14 96.01 5.95 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.992 -0.373 . . . . 10.0 109.992 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.4 mt -90.95 124.55 35.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.227 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 72.6 mt -123.6 135.49 63.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.367 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -127.36 112.21 14.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.513 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.84 28.35 15.88 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.901 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.43 -18.24 57.3 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.84 -0.695 . . . . 10.0 112.826 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -94.63 125.28 39.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 122.809 -0.23 . . . . 10.0 110.474 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -73.51 134.46 43.86 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.091 -0.337 . . . . 10.0 110.091 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.7 mt -82.19 119.66 24.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.513 -179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -84.21 142.15 30.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.86 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -65.16 -18.53 65.38 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.48 0.548 . . . . 10.0 112.48 -178.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.14 11.04 72.74 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.534 -0.841 . . . . 10.0 112.981 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -114.69 165.24 13.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.988 0.423 . . . . 10.0 110.677 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.5 p -104.05 175.67 5.41 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.678 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.466 HD13 ' O ' ' A' ' 18' ' ' GLU . 82.3 mt -72.55 -33.62 66.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.036 0.446 . . . . 10.0 110.256 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -23.13 63.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.827 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -62.25 -38.15 88.18 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.452 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -98.26 6.17 47.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.406 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 61.87 41.94 10.96 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.624 -0.716 . . . . 10.0 111.566 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 84.1 mt -83.47 122.38 37.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.561 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -104.03 -168.0 1.44 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.347 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.0 pttp -75.71 150.2 37.91 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.504 -0.316 . . . . 10.0 110.466 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 65.11 28.31 12.3 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.901 -0.591 . . . . 10.0 111.502 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.0 m -85.49 150.47 24.66 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.187 -0.301 . . . . 10.0 110.187 179.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.2 m -99.87 122.98 43.64 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.103 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -112.35 137.85 49.91 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.804 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.57 123.17 44.41 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.558 -0.292 . . . . 10.0 110.727 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.6 tp -112.82 107.01 15.47 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.994 0.426 . . . . 10.0 110.581 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.4 t -96.75 144.29 10.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.767 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 94.6 mt -87.12 138.05 31.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.06 0.457 . . . . 10.0 111.465 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.424 ' HB3' ' HA ' ' A' ' 40' ' ' GLN . 47.3 ttt180 -102.38 95.58 6.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.974 179.378 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.9 mt -83.72 164.5 19.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.22 -0.445 . . . . 10.0 111.25 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -155.24 158.16 38.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.751 -0.659 . . . . 10.0 109.585 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 138.23 -52.05 0.75 Allowed Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.624 -0.798 . . . . 10.0 112.632 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.526 ' C ' ' HZ3' ' B' ' 48' ' ' LYS . . . . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.709 -1.051 . . . . 10.0 112.019 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.465 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 21.5 ptt? . . . . . 0 N--CA 1.482 1.161 0 N-CA-C 110.238 -0.282 . . . . 10.0 110.238 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -108.89 142.07 40.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.635 0.255 . . . . 10.0 110.883 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 21.4 pt -130.07 156.79 42.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.192 -0.67 . . . . 10.0 109.192 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -114.98 111.81 21.72 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.904 0.383 . . . . 10.0 110.905 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 46.0 t -93.4 112.83 27.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.916 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -91.92 123.39 35.25 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.035 0.445 . . . . 10.0 110.537 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.48 155.93 16.53 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.678 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 11.1 mt -58.5 -19.65 39.1 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.523 0.564 . . . . 10.0 112.523 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.11 -7.24 59.66 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.043 0.386 . . . . 10.0 112.043 -179.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.72 21.37 31.41 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.579 -0.819 . . . . 10.0 111.348 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -102.41 137.11 41.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.341 -0.429 . . . . 10.0 110.057 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -114.58 113.54 24.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.916 0.389 . . . . 10.0 110.608 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 12.2 mt -102.68 118.88 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.348 -179.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -89.58 113.52 24.96 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.946 -0.39 . . . . 10.0 109.946 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.7 mt -113.34 146.48 39.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.792 0.33 . . . . 10.0 111.575 -179.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -93.43 116.65 29.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.685 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.465 ' O ' ' HG2' ' B' ' 1' ' ' MET . 15.7 m -136.45 177.1 6.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.516 -179.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.411 ' O ' HD12 ' B' ' 56' ' ' LEU . 7.0 mm-40 -141.42 160.46 56.96 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -48.6 -39.86 37.55 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 123.209 2.606 . . . . 10.0 114.736 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 14.8 m -84.84 6.1 26.05 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.717 0.636 . . . . 10.0 112.717 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -79.11 128.25 33.04 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.865 -0.42 . . . . 10.0 109.865 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.86 149.87 43.15 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.867 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 46.9 mm -58.07 -36.49 57.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.185 0.517 . . . . 10.0 109.802 179.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -58.64 -36.87 74.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.353 -0.839 . . . . 10.0 110.811 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -67.18 -33.66 75.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 10.0 109.981 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 24.7 t -66.63 -39.83 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 109.368 -0.605 . . . . 10.0 109.368 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.443 ' HE3' ' O ' ' B' ' 41' ' ' GLN . 2.0 mmmm -61.32 -42.14 98.19 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.628 -0.714 . . . . 10.0 109.509 179.092 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.04 -38.49 91.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.464 -0.789 . . . . 10.0 110.833 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -64.87 -37.41 87.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.49 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 80.4 mt -70.32 -39.85 77.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.61 -0.515 . . . . 10.0 109.61 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -65.32 -38.21 89.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.662 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -61.8 -36.52 81.36 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.596 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -88.49 -59.45 2.23 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.954 0.724 . . . . 10.0 112.954 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -77.41 -28.93 52.85 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.308 0.855 . . . . 10.0 113.308 -176.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.17 -2.45 78.85 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.592 -0.813 . . . . 10.0 112.513 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 56.0 mt -77.2 121.68 84.98 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 110.274 -0.269 . . . . 10.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.423 ' HB2' ' OE1' ' B' ' 40' ' ' GLN . 45.6 Cg_exo -55.93 140.72 86.15 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.547 2.164 . . . . 10.0 111.95 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 35.0 Cg_exo -60.95 -18.9 60.03 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.213 2.609 . . . . 10.0 113.135 -179.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -63.34 -40.81 98.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.264 -0.426 . . . . 10.0 111.99 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.423 ' OE1' ' HB2' ' B' ' 37' ' ' PRO . 21.0 mp0 -88.95 1.03 56.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.727 0.299 . . . . 10.0 111.605 -179.117 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.443 ' O ' ' HE3' ' B' ' 27' ' ' LYS . 78.4 mt-30 -87.55 110.3 20.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.455 -0.338 . . . . 10.0 111.471 -179.253 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -112.3 101.98 10.16 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.725 -0.843 . . . . 10.0 108.725 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 40.4 mt -78.75 121.38 24.67 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.16 0.505 . . . . 10.0 111.49 -178.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.429 HD11 HD11 ' D' ' 494' ' ' LEU . 1.5 mp -111.35 152.11 13.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.313 -0.858 . . . . 10.0 109.768 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -140.59 89.78 2.3 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.828 -0.349 . . . . 10.0 111.437 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.29 41.92 25.0 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 113.25 0.833 . . . . 10.0 113.25 178.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.36 -21.45 19.53 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.091 -1.052 . . . . 10.0 112.918 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.526 ' HZ3' ' C ' ' A' ' 76' ' ' GLY . 33.7 mmtm -103.12 179.63 4.22 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.51 0.195 . . . . 10.0 110.877 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -132.51 141.65 48.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.177 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 22.8 mt -92.22 146.32 23.8 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.005 -0.369 . . . . 10.0 110.005 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.437 ' HB2' ' HG2' ' B' ' 54' ' ' ARG . 35.1 mt-10 -109.61 145.29 36.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.826 0.346 . . . . 10.0 110.972 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.01 -28.02 69.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.754 -0.657 . . . . 10.0 112.532 -178.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.39 17.03 50.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.793 -0.718 . . . . 10.0 113.431 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.437 ' HG2' ' HB2' ' B' ' 51' ' ' GLU . 37.3 mmm-85 -121.57 166.26 14.48 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 122.453 -0.439 . . . . 10.0 110.2 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.513 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 76.7 p -110.95 174.75 5.71 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.165 -0.309 . . . . 10.0 110.165 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.411 HD12 ' O ' ' B' ' 18' ' ' GLU . 70.2 mt -69.15 -26.87 65.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.848 0.356 . . . . 10.0 110.668 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.1 m -73.34 -23.59 60.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.276 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.513 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.1 m-20 -58.06 -50.15 74.44 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.257 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -92.64 7.33 43.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.53 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 49.5 t30 57.82 55.83 5.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.293 -0.867 . . . . 10.0 111.22 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 87.8 mt -90.03 124.62 42.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.319 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -100.58 -168.75 1.62 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.951 0.405 . . . . 10.0 111.286 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -78.76 151.52 32.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.02 -0.537 . . . . 10.0 111.025 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 66.94 19.85 10.56 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.685 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 28.3 m -82.17 142.47 32.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.618 -0.265 . . . . 10.0 110.295 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.5 m -97.94 121.99 40.51 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.411 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mp -106.63 149.2 27.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.225 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -103.57 128.25 50.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.339 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 68.4 tp -110.22 104.6 13.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.723 0.297 . . . . 10.0 110.941 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 93.3 t -95.73 134.96 31.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.414 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 75.2 mt -98.56 117.57 33.3 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.097 -0.705 . . . . 10.0 109.097 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.58 ' HB2' ' OD1' ' D' ' 491' ' ' ASP . 1.6 ptm180 -105.79 164.3 12.04 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.709 0.29 . . . . 10.0 110.859 -179.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -149.43 151.14 33.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.46 -0.336 . . . . 10.0 111.188 -179.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 21.3 mtp-105 68.76 -70.47 0.13 Allowed 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.918 0.761 . . . . 10.0 112.194 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 122.66 51.59 0.22 Allowed Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.866 -0.683 . . . . 10.0 112.289 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.541 -1.144 . . . . 10.0 112.437 179.892 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 4.6 p . . . . . 0 N--CA 1.472 0.641 0 N-CA-C 110.44 -0.207 . . . . 10.0 110.44 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 62.04 27.09 16.37 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.218 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.23 -49.03 73.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.295 -179.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -73.38 -38.95 65.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.485 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 60.5 mt -62.56 -39.18 92.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.679 -0.691 . . . . 10.0 110.706 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -65.39 -45.68 83.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.82 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -59.81 -43.94 94.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.959 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 39.0 mtm -64.77 -43.81 92.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.904 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.02 -38.4 90.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.335 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -60.04 -36.8 78.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.018 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 11.0 tp60 -66.25 -34.56 78.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.859 0.361 . . . . 10.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 464' ' ' ILE . . . . . 0.404 ' HA ' ' HE2' ' D' ' 467' ' ' MET . 72.7 mt -71.2 -32.1 46.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.079 0.466 . . . . 10.0 110.258 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -62.11 -31.34 71.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.41 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -70.16 -28.31 65.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.839 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 467' ' ' MET . . . . . 0.465 ' O ' ' HD3' ' D' ' 469' ' ' PRO . 58.5 mtm -85.28 -44.84 12.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.611 -178.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 468' ' ' PHE . . . . . 0.561 ' O ' HG13 ' D' ' 471' ' ' VAL . 1.4 m-30 -114.94 86.65 13.77 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 116.33 -0.395 . . . . 10.0 110.185 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 469' ' ' PRO . . . . . 0.465 ' HD3' ' O ' ' D' ' 467' ' ' MET . 8.6 Cg_exo -71.56 9.81 0.9 Allowed 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 123.037 2.492 . . . . 10.0 113.29 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -119.4 6.59 11.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.537 -0.301 . . . . 10.0 111.608 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 471' ' ' VAL . . . . . 0.561 HG13 ' O ' ' D' ' 468' ' ' PHE . 8.0 p -102.5 134.38 19.97 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 120.637 0.256 . . . . 10.0 111.111 -179.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 472' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -65.99 126.5 15.97 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.518 2.145 . . . . 10.0 111.682 178.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -53.45 -42.81 67.54 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.809 0.67 . . . . 10.0 112.809 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -63.67 -29.56 70.78 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.636 0.236 . . . . 10.0 111.636 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 16.1 mt -74.34 -33.54 63.17 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 21.3 t -67.59 -41.44 85.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.338 -0.616 . . . . 10.0 109.338 178.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . 0.497 ' O ' ' HG3' ' D' ' 481' ' ' GLN . 26.6 mt -65.26 -26.56 68.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.572 -0.74 . . . . 10.0 110.768 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -63.16 -52.47 62.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 479' ' ' ASP . . . . . 0.411 ' HB3' HG22 ' D' ' 489' ' ' THR . 12.6 t70 -67.12 -34.77 78.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.405 -0.362 . . . . 10.0 110.393 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.5 -26.62 63.65 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.219 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 481' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' D' ' 477' ' ' LEU . 65.1 mt-30 -81.58 -23.02 37.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.174 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -93.56 -54.89 3.47 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.233 0.457 . . . . 10.0 112.233 -178.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 70.3 p -87.61 -39.43 15.07 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.263 0.468 . . . . 10.0 112.263 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 64.68 30.35 12.56 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.269 0.557 . . . . 10.0 110.38 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 11.3 m -146.95 119.76 8.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.216 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 2.7 m -57.07 -34.08 44.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 112.197 0.443 . . . . 10.0 112.197 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -60.93 -47.01 88.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.012 0.434 . . . . 10.0 110.337 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 16.5 mt -73.77 -42.56 54.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.716 -0.674 . . . . 10.0 110.802 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 489' ' ' THR . . . . . 0.411 HG22 ' HB3' ' D' ' 479' ' ' ASP . 90.8 m -55.53 -54.11 48.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.42 -0.355 . . . . 10.0 111.855 -179.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 1.4 m -64.98 -36.9 85.87 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.978 -0.289 . . . . 10.0 111.51 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 491' ' ' ASP . . . . . 0.58 ' OD1' ' HB2' ' B' ' 72' ' ' ARG . 23.0 t70 -66.83 -43.75 82.92 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.704 -0.48 . . . . 10.0 109.704 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -56.96 -44.58 82.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.231 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 89.8 mt -67.36 -43.18 87.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.844 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 494' ' ' LEU . . . . . 0.429 HD11 HD11 ' B' ' 44' ' ' ILE . 0.1 OUTLIER -66.69 -30.43 70.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.471 -0.331 . . . . 10.0 111.423 -179.674 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -80.67 -40.7 25.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.308 -0.405 . . . . 10.0 111.377 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 123.58 28.43 1.3 Allowed Glycine 0 CA--C 1.518 0.253 0 C-N-CA 120.294 -0.955 . . . . 10.0 113.263 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -68.24 -27.64 66.53 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.265 0.555 . . . . 10.0 109.983 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 2.9 mp -118.65 123.61 71.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.215 -0.902 . . . . 10.0 108.739 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -64.68 133.59 52.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.18 0.514 . . . . 10.0 111.644 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 35.4 m -80.31 166.69 38.36 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.193 -0.912 . . . . 10.0 109.787 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.91 93.21 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.391 2.06 . . . . 10.0 112.277 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -86.07 129.34 54.36 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.169 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -62.4 101.92 0.26 Allowed 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.368 2.045 . . . . 10.0 112.166 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 6.5 t . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.072 -0.966 . . . . 10.0 109.687 179.953 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.595 0.236 . . . . 10.0 110.368 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -108.09 142.01 38.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.622 -0.263 . . . . 10.0 110.635 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.2 pt -127.28 153.36 36.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.334 -0.394 . . . . 10.0 109.948 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -110.97 103.18 11.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.254 0.55 . . . . 10.0 111.065 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.1 t -92.68 120.48 42.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.686 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -105.24 127.95 53.19 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.238 0.542 . . . . 10.0 111.377 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.36 154.19 18.71 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.594 -0.73 . . . . 10.0 109.349 178.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.409 ' C ' ' HG1' ' A' ' 9' ' ' THR . 31.5 mt -72.58 54.89 0.35 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.077 0.465 . . . . 10.0 111.776 -179.276 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.409 ' HG1' ' C ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -161.51 23.72 0.12 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.181 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.39 38.69 95.21 Favored Glycine 0 C--N 1.334 0.437 0 C-N-CA 121.008 -0.615 . . . . 10.0 112.059 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -118.95 131.29 56.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.509 0.195 . . . . 10.0 110.713 -178.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.0 m -118.8 124.22 46.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.858 0.361 . . . . 10.0 110.661 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.3 mt -118.15 124.89 73.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.081 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -96.96 109.2 21.99 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.855 0.36 . . . . 10.0 110.308 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.2 mt -108.28 153.78 22.74 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.803 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -98.82 126.38 44.45 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.911 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.1 m -143.82 175.11 3.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.218 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 4.7 mm-40 -135.67 164.6 42.29 Favored Pre-proline 0 C--N 1.317 -0.836 0 N-CA-C 108.691 -0.855 . . . . 10.0 108.691 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -53.44 -37.39 81.94 Favored 'Trans proline' 0 CA--C 1.534 0.48 0 C-N-CA 122.267 1.978 . . . . 10.0 112.958 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.09 3.37 30.83 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.417 0.525 . . . . 10.0 112.417 -179.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.431 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.7 OUTLIER -73.07 129.1 37.33 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 109.65 -0.5 . . . . 10.0 109.65 179.681 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.414 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -80.81 147.92 30.23 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.868 -179.462 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.599 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 49.6 mm -58.11 -41.42 80.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.053 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -58.48 -38.71 78.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.675 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.469 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 65.9 t30 -68.21 -36.37 79.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.041 179.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 22' ' ' THR . 59.1 t -63.28 -37.58 79.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.956 -0.565 . . . . 10.0 109.737 179.062 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.599 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 6.7 mmmm -61.36 -40.01 92.72 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.716 -0.675 . . . . 10.0 109.972 179.147 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.98 -38.83 89.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.505 -0.77 . . . . 10.0 110.796 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 52.2 mttt -61.02 -39.67 90.63 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.124 0.488 . . . . 10.0 110.15 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 68.9 mt -70.19 -39.09 76.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.882 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -64.4 -30.69 71.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.796 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -76.69 -38.04 55.11 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.134 0.42 . . . . 10.0 112.134 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -87.04 -37.13 17.75 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.965 0.728 . . . . 10.0 112.965 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -99.72 -33.45 10.58 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.3 0.482 . . . . 10.0 112.3 -178.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.94 0.15 68.84 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.519 -0.848 . . . . 10.0 112.017 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.6 mt -77.94 127.7 81.06 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 110.298 -0.26 . . . . 10.0 110.298 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -61.11 136.63 66.28 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.438 2.092 . . . . 10.0 112.288 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.75 -24.7 72.68 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.808 2.339 . . . . 10.0 112.629 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.52 -22.64 67.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.949 -0.568 . . . . 10.0 111.691 -179.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -108.41 5.38 25.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.868 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.48 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 79.6 mt-30 -94.66 111.67 23.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.05 -179.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.7 mtt180 -112.28 99.84 8.34 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.912 -0.403 . . . . 10.0 109.912 178.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.7 mt -85.48 120.07 26.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.816 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -114.14 132.62 62.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.385 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -125.17 109.83 13.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.079 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.83 15.77 9.31 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.53 -0.759 . . . . 10.0 111.993 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.485 ' HA2' ' HB3' ' D' ' 473' ' ' TYR . . . 114.33 -31.4 6.46 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.599 -0.81 . . . . 10.0 112.725 179.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -84.09 137.91 33.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.887 0.375 . . . . 10.0 110.4 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -82.59 135.94 34.94 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.565 -0.531 . . . . 10.0 109.565 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.9 mt -80.41 133.56 35.9 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.429 -0.35 . . . . 10.0 110.596 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.503 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 3.0 mt-10 -86.38 144.14 27.48 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 179.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.41 -45.95 80.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.928 -0.578 . . . . 10.0 112.333 -178.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.45 43.29 3.18 Favored Glycine 0 CA--C 1.516 0.109 0 C-N-CA 120.758 -0.734 . . . . 10.0 114.234 -178.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.503 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 30.3 mmt180 -133.51 167.48 20.38 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.608 -0.516 . . . . 10.0 109.608 179.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.2 p -109.77 169.38 8.75 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.901 -0.407 . . . . 10.0 109.901 178.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.428 HD11 ' O ' ' A' ' 18' ' ' GLU . 63.4 mt -65.87 -31.62 72.66 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.109 0.48 . . . . 10.0 110.66 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.26 -20.48 63.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.23 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -70.08 -19.75 63.25 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.198 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -116.19 8.29 14.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.603 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t30 63.7 31.76 14.18 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.556 -0.747 . . . . 10.0 111.456 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.1 mt -76.76 122.98 32.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.11 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -111.36 -168.32 1.29 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.532 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -71.42 150.4 45.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.783 0.325 . . . . 10.0 111.491 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 66.2 15.35 10.05 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.418 -0.81 . . . . 10.0 112.413 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.9 m -78.01 139.36 39.12 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.904 0.383 . . . . 10.0 110.248 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.84 130.76 37.55 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.691 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.3 mp -120.44 141.29 50.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.226 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.2 m80 -95.59 121.89 37.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.361 -0.382 . . . . 10.0 111.15 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.6 tp -100.02 97.51 8.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.202 0.525 . . . . 10.0 110.043 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.6 t -88.73 134.99 26.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.381 -0.827 . . . . 10.0 110.752 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.6 mt -112.84 131.62 55.63 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -109.13 123.82 49.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.816 0.341 . . . . 10.0 111.115 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.5 mt -80.7 163.21 23.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.33 -0.396 . . . . 10.0 110.111 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 55.7 mmm-85 -100.54 -26.4 13.85 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.856 0.36 . . . . 10.0 110.915 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -148.42 169.22 29.05 Favored Glycine 0 N--CA 1.443 -0.838 0 C-N-CA 120.905 -0.664 . . . . 10.0 111.956 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.9 -0.945 . . . . 10.0 111.57 179.949 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.482 1.153 0 N-CA-C 109.914 -0.402 . . . . 10.0 109.914 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -100.84 135.0 42.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.604 0.24 . . . . 10.0 110.678 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 28.0 pt -125.6 153.37 33.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -116.7 110.92 19.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.782 0.325 . . . . 10.0 110.714 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 15.7 t -98.47 113.75 34.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.071 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -96.59 136.82 36.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.868 0.366 . . . . 10.0 110.468 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.8 p -105.76 168.39 9.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.917 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 13.2 mt -61.9 -22.15 65.33 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.057 0.456 . . . . 10.0 110.923 178.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.84 -12.21 60.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.833 -0.621 . . . . 10.0 111.734 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.91 -3.0 62.18 Favored Glycine 0 C--N 1.329 0.16 0 C-N-CA 121.018 -0.61 . . . . 10.0 112.444 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.435 ' HZ1' ' CD ' ' B' ' 34' ' ' GLU . 83.5 tttt -76.69 138.17 39.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.772 0.32 . . . . 10.0 110.953 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.9 m -111.68 107.53 16.67 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.346 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.2 mt -91.16 130.2 40.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.521 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m -99.77 131.58 45.66 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.552 -0.536 . . . . 10.0 109.552 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 88.9 mt -132.11 129.72 40.27 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.837 0.351 . . . . 10.0 111.124 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -87.17 90.76 8.48 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.7 m -114.01 179.9 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.696 -0.683 . . . . 10.0 110.693 -178.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -133.69 154.04 80.42 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 109.295 -0.632 . . . . 10.0 109.295 179.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -53.33 -37.55 81.3 Favored 'Trans proline' 0 N--CA 1.472 0.257 0 C-N-CA 122.761 2.308 . . . . 10.0 113.064 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -6.66 49.11 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 112.789 0.663 . . . . 10.0 112.789 -178.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -76.49 151.28 36.47 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.848 -0.427 . . . . 10.0 109.848 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.46 ' O ' HG21 ' B' ' 26' ' ' VAL . 3.2 p -94.44 151.95 18.97 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.691 -178.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.3 mm -59.14 -37.87 70.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.261 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.27 -42.95 92.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.593 178.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -69.52 -33.69 73.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.57 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.46 HG21 ' O ' ' B' ' 22' ' ' THR . 82.7 t -62.47 -42.81 97.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 178.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -63.96 -33.08 74.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.763 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.64 -35.47 80.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.093 0.473 . . . . 10.0 110.316 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -67.78 -37.04 81.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.188 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 69.5 mt -67.66 -29.21 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.635 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.533 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 62.4 tt0 -72.75 -29.89 63.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.84 178.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -78.38 -42.46 30.26 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.818 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.2 mttt -74.81 -68.1 0.58 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.957 0.408 . . . . 10.0 111.087 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.435 ' CD ' ' HZ1' ' B' ' 11' ' ' LYS . 43.7 mm-40 -73.13 -58.9 2.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.942 -179.221 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.533 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 113.29 25.38 4.41 Favored Glycine 0 C--N 1.32 -0.312 0 C-N-CA 120.622 -0.799 . . . . 10.0 111.937 -178.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 43.2 mt -96.97 129.31 32.77 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.76 -0.22 . . . . 10.0 110.494 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.407 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 42.9 Cg_exo -56.81 133.84 60.63 Favored 'Trans proline' 0 CA--C 1.53 0.302 0 C-N-CA 122.185 1.923 . . . . 10.0 111.71 179.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 37.7 Cg_exo -60.25 -15.02 32.31 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.865 2.376 . . . . 10.0 112.973 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -78.0 -25.12 47.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.801 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -102.21 -2.88 28.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.608 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -83.41 106.42 15.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.801 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.453 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 7.8 mtp180 -100.81 93.16 5.4 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.546 -0.538 . . . . 10.0 109.546 179.145 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 15.1 mt -79.91 128.02 32.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.492 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.2 mp -126.57 137.12 58.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.603 -0.726 . . . . 10.0 109.577 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -129.63 107.28 9.32 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.595 -0.521 . . . . 10.0 109.595 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.5 19.55 11.84 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.997 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.64 -19.19 21.83 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.588 -0.815 . . . . 10.0 113.877 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -108.98 145.91 34.73 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 117.229 0.514 . . . . 10.0 111.455 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -74.72 160.31 30.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.974 -0.557 . . . . 10.0 111.455 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 38.6 mt -111.74 130.43 55.79 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.486 -0.779 . . . . 10.0 109.657 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -78.32 145.36 35.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.752 0.31 . . . . 10.0 110.984 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.19 -51.83 66.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.846 -0.615 . . . . 10.0 111.967 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.61 50.76 4.46 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 121.067 -0.587 . . . . 10.0 113.647 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 84.2 mmt-85 -135.28 155.96 49.76 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.077 -0.342 . . . . 10.0 110.077 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.57 156.77 16.63 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.29 179.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.2 mt -65.36 -31.16 72.13 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.865 0.364 . . . . 10.0 110.627 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.61 -23.17 62.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.088 -0.506 . . . . 10.0 111.175 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -70.59 -29.8 66.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.939 0.4 . . . . 10.0 110.495 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -96.73 6.57 48.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 58.7 t30 63.21 27.64 15.62 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.49 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 67.8 mt -77.08 98.2 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 110.065 -0.346 . . . . 10.0 110.065 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -84.41 -168.83 2.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.75 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -75.7 147.9 39.03 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.424 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 66.9 25.12 9.53 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.35 -0.841 . . . . 10.0 111.963 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.7 m -88.98 143.94 26.51 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.568 -0.287 . . . . 10.0 110.384 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 18.2 m -93.83 123.83 37.44 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.956 0.408 . . . . 10.0 111.24 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -108.1 148.82 29.28 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.028 -0.731 . . . . 10.0 109.028 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.453 ' CD2' ' HG2' ' D' ' 467' ' ' MET . 37.6 m80 -106.63 126.6 52.48 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.851 0.358 . . . . 10.0 110.625 -179.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 60.6 tp -110.51 100.06 8.94 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.924 0.392 . . . . 10.0 110.25 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.453 ' HB ' ' HB2' ' B' ' 42' ' ' ARG . 90.5 t -83.64 130.23 36.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.5 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 22.7 mt -84.42 151.68 24.5 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.494 -0.558 . . . . 10.0 109.494 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 54.4 ttt-85 -126.22 108.3 11.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.796 0.331 . . . . 10.0 111.609 -178.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 50.8 mt -98.83 56.75 1.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.342 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -108.2 -2.15 19.63 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.605 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.59 -70.33 2.47 Favored Glycine 0 N--CA 1.449 -0.459 0 N-CA-C 111.226 -0.75 . . . . 10.0 111.226 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.904 0 CA-C-O 118.836 -0.98 . . . . 10.0 111.455 179.452 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 120.338 0.113 . . . . 10.0 111.246 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 61.37 27.69 17.27 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.109 0.48 . . . . 10.0 110.668 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.31 -49.53 77.23 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.661 -179.13 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -65.39 -38.63 90.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 10.0 110.646 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.96 -42.67 99.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.504 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -66.02 -41.45 90.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.852 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.35 -45.55 90.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.452 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 58.3 mtm -64.54 -41.43 96.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.64 -37.16 86.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.031 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -57.09 -45.52 83.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.843 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -58.72 -32.34 69.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.878 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 62.3 mt -77.69 -36.55 22.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.283 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 40.3 tp60 -63.35 -32.41 73.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.296 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -69.44 -24.72 63.86 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.924 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 467' ' ' MET . . . . . 0.453 ' HG2' ' CD2' ' B' ' 68' ' ' HIS . 66.8 mtm -92.87 -37.54 12.22 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.704 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 468' ' ' PHE . . . . . 0.48 ' O ' HG13 ' D' ' 471' ' ' VAL . 17.6 m-85 -118.22 98.56 51.49 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.084 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -78.44 -0.17 10.47 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.708 2.272 . . . . 10.0 112.999 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -119.09 28.7 8.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.577 -0.283 . . . . 10.0 111.583 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 471' ' ' VAL . . . . . 0.48 HG13 ' O ' ' D' ' 468' ' ' PHE . 7.7 p -117.72 132.29 23.7 Favored Pre-proline 0 C--N 1.324 -0.501 0 C-N-CA 121.059 -0.256 . . . . 10.0 110.533 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 472' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' D' ' 471' ' ' VAL . 24.3 Cg_exo -65.8 117.75 4.9 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.35 2.033 . . . . 10.0 111.612 178.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 473' ' ' TYR . . . . . 0.485 ' HB3' ' HA2' ' A' ' 47' ' ' GLY . 33.0 t80 -51.86 -42.02 62.32 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.762 -0.654 . . . . 10.0 112.596 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -66.22 -29.99 70.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.558 0.218 . . . . 10.0 111.303 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 13.7 mt -74.65 -33.93 62.63 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.744 -0.465 . . . . 10.0 109.744 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 476' ' ' VAL . . . . . 0.41 HG23 ' O ' ' D' ' 472' ' ' PRO . 37.1 t -64.99 -41.26 91.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.298 -0.63 . . . . 10.0 109.298 178.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 81.9 mt -64.04 -28.65 69.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.577 -0.738 . . . . 10.0 110.55 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -71.64 -51.3 23.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.376 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -62.03 -37.56 85.38 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.959 -0.385 . . . . 10.0 109.959 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 480' ' ' LEU . . . . . 0.412 ' O ' ' HA ' ' D' ' 484' ' ' ARG . 0.2 OUTLIER -59.82 -22.78 62.7 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.846 -0.615 . . . . 10.0 111.134 179.317 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -91.08 -16.75 27.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.62 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -93.63 -51.86 4.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.959 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 65.1 p -88.49 -38.35 15.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.078 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 484' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' D' ' 480' ' ' LEU . 4.3 mtt180 65.03 31.63 11.02 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.561 -0.745 . . . . 10.0 111.587 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.39 120.96 4.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.202 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 6.5 m -62.24 -26.01 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.221 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -75.61 0.57 17.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.237 0.541 . . . . 10.0 110.838 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 67.6 mt -121.87 -41.05 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.592 178.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 489' ' ' THR . . . . . 0.425 ' O ' HG13 ' D' ' 493' ' ' ILE . 81.6 m -57.3 -57.5 12.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 10.0 111.933 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.16 -40.03 80.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.997 0.427 . . . . 10.0 110.954 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -66.99 -43.41 83.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.91 -0.587 . . . . 10.0 110.201 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -54.36 -34.5 61.28 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.453 179.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 493' ' ' ILE . . . . . 0.425 HG13 ' O ' ' D' ' 489' ' ' THR . 54.5 mt -71.13 -45.07 73.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.036 0.446 . . . . 10.0 110.297 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 5.8 mt -66.91 -36.36 82.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.723 -0.672 . . . . 10.0 111.43 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -71.22 -47.2 58.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.526 -0.306 . . . . 10.0 110.467 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 127.69 93.94 0.82 Allowed Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.686 -0.768 . . . . 10.0 112.406 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -159.12 -49.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.912 0.387 . . . . 10.0 110.056 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 1.9 mp -69.37 136.02 27.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.771 -0.649 . . . . 10.0 109.984 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -67.51 126.53 29.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.915 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 34.7 m -79.75 159.59 71.18 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.501 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -72.02 67.91 3.24 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.835 2.357 . . . . 10.0 112.127 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -79.72 129.6 70.51 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.448 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -69.57 112.82 3.15 Favored 'Trans proline' 0 C--O 1.234 0.325 0 C-N-CA 122.449 2.1 . . . . 10.0 111.714 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 12.7 t . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.261 -0.876 . . . . 10.0 109.807 -179.78 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.655 0.264 . . . . 10.0 110.626 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 -106.97 137.34 45.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.407 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.5 pt -125.49 164.82 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.636 -0.256 . . . . 10.0 110.332 178.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -119.68 126.32 50.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.895 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.4 t -116.02 124.07 71.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.491 -0.559 . . . . 10.0 109.491 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.49 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 38.2 ttmt -107.75 127.47 53.72 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.995 0.426 . . . . 10.0 111.69 -178.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.75 176.1 7.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.824 179.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 92.3 mt -65.58 -19.99 66.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.387 -0.37 . . . . 10.0 111.699 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.54 0.12 47.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.799 0.333 . . . . 10.0 111.418 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.33 22.74 62.17 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.688 -0.768 . . . . 10.0 111.611 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.49 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 80.7 tttt -95.81 126.17 40.89 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.209 -0.293 . . . . 10.0 110.209 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -105.1 115.78 30.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.015 0.436 . . . . 10.0 110.799 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.0 mt -104.76 137.72 32.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.524 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.4 m -98.11 127.27 43.96 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.97 -0.382 . . . . 10.0 109.97 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.4 mt -124.05 148.92 46.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.749 0.309 . . . . 10.0 111.435 -179.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -98.07 117.37 32.28 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.357 -0.609 . . . . 10.0 109.357 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.9 m -142.19 173.26 7.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.189 -0.459 . . . . 10.0 110.94 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.487 ' O ' HD11 ' A' ' 56' ' ' LEU . 19.0 mm-40 -130.22 155.16 81.26 Favored Pre-proline 0 C--N 1.321 -0.65 0 N-CA-C 108.861 -0.792 . . . . 10.0 108.861 178.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.18 -30.11 59.58 Favored 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 122.683 2.255 . . . . 10.0 112.965 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 p -81.1 -2.21 47.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.304 -0.407 . . . . 10.0 112.061 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 3.0 t0 -73.45 147.5 44.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.032 0.444 . . . . 10.0 111.106 -179.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.29 146.49 23.67 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.518 -0.765 . . . . 10.0 110.665 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.429 HG12 ' O ' ' A' ' 54' ' ' ARG . 39.1 mm -56.83 -41.2 75.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 10.0 110.856 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -58.71 -38.79 79.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.619 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.4 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 65.5 t30 -69.74 -34.81 74.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.961 0.41 . . . . 10.0 110.416 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.5 t -62.86 -43.11 98.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.505 -0.554 . . . . 10.0 109.505 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -65.53 -34.23 77.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.952 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.43 -35.08 79.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.925 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 89.6 mttt -69.84 -35.61 74.88 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.611 178.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.4 mt -69.12 -35.38 68.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 116.033 -0.53 . . . . 10.0 109.794 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -64.78 -28.23 69.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.769 -0.651 . . . . 10.0 110.643 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -81.6 -21.31 38.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.049 0.452 . . . . 10.0 110.964 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -91.46 -50.28 5.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.709 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.421 ' CD ' ' HZ3' ' A' ' 11' ' ' LYS . 37.4 mm-40 -93.59 -41.64 9.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.736 -178.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.5 -2.12 36.89 Favored Glycine 0 C--N 1.321 -0.251 0 C-N-CA 120.652 -0.785 . . . . 10.0 111.54 -178.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 29.4 mt -75.07 129.22 83.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.433 -0.384 . . . . 10.0 110.846 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -63.39 145.12 92.32 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.474 2.116 . . . . 10.0 111.837 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -60.52 -19.28 58.79 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.72 2.28 . . . . 10.0 112.2 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.09 -28.61 69.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.233 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -109.3 15.05 23.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.683 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -103.32 106.47 16.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.5 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -111.23 102.97 11.35 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.543 -0.54 . . . . 10.0 109.543 178.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.2 mt -86.37 125.67 33.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.197 0.522 . . . . 10.0 111.428 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 56.5 mt -122.16 124.55 71.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.147 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -109.52 102.62 11.47 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.863 0.363 . . . . 10.0 110.889 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.78 32.41 21.86 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.569 -0.742 . . . . 10.0 112.326 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.75 -20.99 43.96 Favored Glycine 0 C--O 1.229 -0.211 0 C-N-CA 120.601 -0.809 . . . . 10.0 112.415 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.8 mtmt -92.73 111.87 23.63 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.147 -0.316 . . . . 10.0 110.147 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.52 136.01 50.84 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.092 -0.336 . . . . 10.0 110.092 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.1 mt -87.79 144.91 26.36 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.763 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.489 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 0.4 OUTLIER -102.2 137.67 40.16 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.457 -0.572 . . . . 10.0 109.457 179.089 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -49.06 -45.52 43.11 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.02 0.748 . . . . 10.0 113.02 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.12 33.74 3.11 Favored Glycine 0 CA--C 1.52 0.393 0 C-N-CA 121.056 -0.592 . . . . 10.0 114.186 -178.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.489 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 22.0 mmt180 -127.26 165.13 20.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 117.159 0.48 . . . . 10.0 110.068 179.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.463 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 58.7 p -107.48 169.44 8.58 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.56 -0.291 . . . . 10.0 110.576 179.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.487 HD11 ' O ' ' A' ' 18' ' ' GLU . 95.9 mt -67.08 -29.29 69.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.157 0.503 . . . . 10.0 110.183 179.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.4 m -73.15 -17.77 61.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.741 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.463 ' HB2' ' O ' ' A' ' 55' ' ' THR . 2.6 m-20 -68.17 -28.19 67.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.994 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -112.08 5.85 18.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.758 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 t30 60.13 48.81 7.99 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.689 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 82.0 mt -86.73 111.18 21.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.749 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -91.54 -171.89 3.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.85 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.4 pttt -74.17 151.09 40.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 68.05 18.16 9.46 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.709 -0.678 . . . . 10.0 112.394 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.6 m -78.98 147.48 32.92 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.911 -0.316 . . . . 10.0 110.166 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 m -105.59 118.54 36.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.133 0.492 . . . . 10.0 111.324 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -105.75 144.36 32.6 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.646 -0.706 . . . . 10.0 109.285 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -104.09 133.7 48.58 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 110.108 -0.33 . . . . 10.0 110.108 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.0 tp -112.59 112.38 23.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.957 0.408 . . . . 10.0 110.908 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.6 t -105.11 136.6 38.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.936 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 71.8 mt -93.11 138.74 31.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.654 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -110.46 98.27 7.52 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.923 0.392 . . . . 10.0 110.851 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 79.7 mt -94.42 130.07 40.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.468 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.64 174.69 10.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.625 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 111.99 -41.04 2.34 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.898 -0.668 . . . . 10.0 111.852 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.459 ' C ' ' HZ3' ' B' ' 48' ' ' LYS . . . . . . . . 0 C--O 1.248 1.001 0 CA-C-O 117.925 -1.486 . . . . 10.0 110.709 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptt? . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 120.616 0.246 . . . . 10.0 110.449 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -98.97 128.44 45.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.64 -0.255 . . . . 10.0 110.433 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 36.9 pt -117.66 164.04 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.151 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.403 ' O ' ' HA ' ' B' ' 66' ' ' THR . 85.8 m-85 -123.56 121.91 36.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.036 0.446 . . . . 10.0 111.117 -179.199 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 84.4 t -100.5 119.76 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.15 -0.477 . . . . 10.0 109.778 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 10.1 tttp -97.46 127.65 43.6 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.143 0.497 . . . . 10.0 110.769 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.95 156.5 17.97 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.609 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 56.8 mt -64.43 -14.22 55.6 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.881 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.04 10.0 20.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.156 -0.475 . . . . 10.0 111.216 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.17 42.93 49.32 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.665 -0.779 . . . . 10.0 111.276 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 32.4 tttp -120.02 145.0 47.23 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.629 -0.285 . . . . 10.0 110.453 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -125.96 96.49 4.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.01 0.433 . . . . 10.0 110.512 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 53.7 mt -85.89 135.99 23.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.468 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 3.6 m -100.48 122.2 42.81 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.206 -0.294 . . . . 10.0 110.206 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 53.3 mt -115.08 135.97 53.63 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.219 0.533 . . . . 10.0 111.246 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -97.05 101.27 12.8 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.386 -0.825 . . . . 10.0 108.915 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 6.8 m -134.81 175.04 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.152 0.501 . . . . 10.0 111.63 -178.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.483 ' O ' HD12 ' B' ' 56' ' ' LEU . 25.2 mm-40 -127.32 154.27 77.1 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.64 -27.92 53.6 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.739 2.293 . . . . 10.0 113.01 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.37 -12.59 60.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.103 -0.498 . . . . 10.0 112.02 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -75.28 152.55 38.23 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.898 0.38 . . . . 10.0 110.325 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.489 ' O ' HG21 ' B' ' 26' ' ' VAL . 18.1 p -96.73 152.04 19.06 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.159 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 41.7 mm -55.55 -40.03 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.43 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -58.96 -43.12 91.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.609 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -71.28 -24.71 62.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.587 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.489 HG21 ' O ' ' B' ' 22' ' ' THR . 94.6 t -72.7 -43.55 61.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 178.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -62.91 -34.05 76.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.506 179.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.16 -33.87 75.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.672 179.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -69.82 -36.8 75.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.937 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 56.8 mt -69.38 -32.64 54.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 109.284 -0.635 . . . . 10.0 109.284 178.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.422 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 53.0 tt0 -69.22 -32.35 71.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.509 -0.769 . . . . 10.0 109.977 178.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -74.27 -40.54 62.25 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.562 179.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -73.47 -62.41 1.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.95 -0.568 . . . . 10.0 112.461 -179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -83.41 -46.37 12.61 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.261 0.467 . . . . 10.0 112.261 -178.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.422 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 108.98 9.48 26.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.468 -0.872 . . . . 10.0 112.169 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.0 mt -84.11 126.08 70.89 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 110.471 -0.196 . . . . 10.0 110.471 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.71 139.31 77.1 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.791 2.328 . . . . 10.0 112.115 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -61.73 -17.2 53.45 Favored 'Trans proline' 0 CA--C 1.533 0.436 0 C-N-CA 122.773 2.316 . . . . 10.0 112.758 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -69.96 -33.22 71.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.1 0.476 . . . . 10.0 110.68 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -92.39 -4.34 53.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.689 -0.687 . . . . 10.0 110.68 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -87.47 103.38 15.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.425 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -107.76 100.5 9.87 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.566 -0.531 . . . . 10.0 109.566 178.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 75.5 mt -86.99 124.47 33.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.043 0.449 . . . . 10.0 111.281 -179.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mp -118.37 134.43 61.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.646 -0.706 . . . . 10.0 109.955 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -131.45 126.33 34.78 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.085 -0.507 . . . . 10.0 109.71 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.31 23.45 13.68 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.745 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.93 9.41 67.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.854 -0.688 . . . . 10.0 113.057 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.459 ' HZ3' ' C ' ' A' ' 76' ' ' GLY . 40.9 mtmt -125.31 143.63 50.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.666 0.233 . . . . 10.0 110.389 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -80.4 145.13 32.14 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.85 0.357 . . . . 10.0 110.838 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 13.4 mt -98.63 143.09 29.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.069 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -91.86 148.28 22.34 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.01 -0.367 . . . . 10.0 110.01 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.38 -50.83 72.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.057 -0.52 . . . . 10.0 112.053 -179.18 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.17 54.0 4.82 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 121.179 -0.534 . . . . 10.0 113.392 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -141.61 158.86 43.3 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.442 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 76.5 p -99.77 163.51 12.44 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.72 -0.474 . . . . 10.0 109.72 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.483 HD12 ' O ' ' B' ' 18' ' ' GLU . 89.4 mt -64.5 -32.12 73.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.1 0.476 . . . . 10.0 110.149 179.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.65 -23.79 63.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.791 -0.64 . . . . 10.0 111.361 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.442 ' HB2' ' O ' ' B' ' 55' ' ' THR . 3.8 m-20 -62.27 -38.3 88.78 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.967 0.413 . . . . 10.0 111.551 -179.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -99.12 12.88 34.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.726 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 59.87 36.3 21.87 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.064 0.459 . . . . 10.0 110.913 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 81.7 mt -77.26 124.39 35.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.402 -0.592 . . . . 10.0 109.402 179.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -113.2 -170.79 1.75 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.27 0.557 . . . . 10.0 111.722 -178.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 44.9 pttt -68.97 145.18 53.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.391 -0.822 . . . . 10.0 110.753 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 63.15 14.98 8.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.584 -0.734 . . . . 10.0 112.976 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 73.1 m -78.25 144.96 35.74 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 4.5 m -94.18 126.63 39.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.292 0.568 . . . . 10.0 112.286 -178.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 mp -107.44 115.89 30.96 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.673 -0.862 . . . . 10.0 108.673 178.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.489 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 42.7 m80 -79.39 120.63 24.09 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.722 0.296 . . . . 10.0 110.732 -179.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 54.4 tp -98.99 105.39 17.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.889 0.376 . . . . 10.0 110.586 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 93.6 t -92.63 131.88 38.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.134 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 46.0 mt -97.01 109.99 22.63 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.111 -0.329 . . . . 10.0 110.111 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.406 ' HA ' ' CG ' ' D' ' 491' ' ' ASP . 12.9 ttm180 -87.56 133.75 33.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.382 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.3 mp -129.91 54.28 1.86 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.229 0.537 . . . . 10.0 110.959 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.549 ' HG2' ' OD2' ' D' ' 491' ' ' ASP . 2.9 mmp_? -112.17 57.09 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.018 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 111.76 -146.43 17.94 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.597 -0.811 . . . . 10.0 112.409 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.436 -1.202 . . . . 10.0 111.81 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.476 0.851 0 CA-C-O 120.551 0.215 . . . . 10.0 110.508 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 57.94 26.72 13.73 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.207 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.91 -53.72 19.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.332 -179.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -68.52 -34.52 76.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 10.0 110.904 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 74.7 mt -63.31 -46.86 84.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.033 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 -63.68 -40.28 96.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.055 -0.521 . . . . 10.0 110.724 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.27 -45.89 91.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.847 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 71.6 mtm -66.24 -35.73 81.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.649 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.92 -34.23 77.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.486 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 61.4 t60 -60.62 -37.81 82.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.079 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -63.66 -34.55 78.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.655 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 72.1 mt -74.74 -33.03 29.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.32 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -65.59 -22.0 66.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.999 0.428 . . . . 10.0 110.329 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -77.39 -20.81 54.12 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.969 -0.559 . . . . 10.0 109.893 178.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 467' ' ' MET . . . . . 0.489 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 35.2 mmm -96.8 -48.04 5.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.534 -0.757 . . . . 10.0 110.083 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 468' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -124.57 91.87 48.81 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.761 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -85.96 20.21 1.27 Allowed 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.424 2.082 . . . . 10.0 112.039 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -118.76 18.95 13.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.2 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 471' ' ' VAL . . . . . . . . . . . . . 7.5 p -126.75 128.71 24.21 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 109.965 -0.384 . . . . 10.0 109.965 179.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 472' ' ' PRO . . . . . 0.429 ' HB3' ' CE1' ' D' ' 474' ' ' HIS . 52.2 Cg_exo -53.97 127.12 24.34 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 122.823 2.349 . . . . 10.0 113.128 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -51.23 -44.84 61.76 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.414 -0.812 . . . . 10.0 112.101 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 474' ' ' HIS . . . . . 0.429 ' CE1' ' HB3' ' D' ' 472' ' ' PRO . 26.9 p-80 -63.22 -30.28 71.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.816 -179.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 28.9 mt -78.58 -33.28 47.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.678 0.275 . . . . 10.0 110.289 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 476' ' ' VAL . . . . . 0.406 HG23 ' O ' ' D' ' 472' ' ' PRO . 59.9 t -63.83 -42.43 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.285 0.564 . . . . 10.0 109.505 178.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 57.3 mt -61.89 -24.8 67.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.357 -0.838 . . . . 10.0 111.504 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -63.76 -46.65 84.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.48 -0.327 . . . . 10.0 111.008 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -70.15 -30.89 68.15 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.729 -0.471 . . . . 10.0 109.729 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -64.92 -25.01 67.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.28 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -91.42 -1.09 57.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.975 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.14 -58.38 2.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.624 -0.716 . . . . 10.0 110.949 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 483' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' D' ' 484' ' ' ARG . 82.7 p -90.93 -36.41 14.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.864 0.364 . . . . 10.0 111.173 -179.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 484' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' D' ' 483' ' ' THR . 8.1 mpt_? 68.93 22.87 6.91 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.315 -179.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.84 116.06 7.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.282 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 29.3 m -55.81 -25.76 19.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.948 -0.569 . . . . 10.0 112.505 -178.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -60.1 -58.77 7.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 6.6 mt -70.19 -24.52 26.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.128 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 489' ' ' THR . . . . . 0.437 ' O ' HG13 ' D' ' 493' ' ' ILE . 93.3 m -63.79 -55.96 19.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.97 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 1.5 m -61.6 -32.19 72.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.341 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 491' ' ' ASP . . . . . 0.549 ' OD2' ' HG2' ' B' ' 74' ' ' ARG . 35.4 t0 -67.78 -49.66 61.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.218 -0.901 . . . . 10.0 109.494 178.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -57.85 -36.57 72.5 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.832 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 493' ' ' ILE . . . . . 0.437 HG13 ' O ' ' D' ' 489' ' ' THR . 88.2 mt -62.41 -44.91 99.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 121.101 0.477 . . . . 10.0 110.019 179.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.12 -29.33 68.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.865 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -73.66 -41.18 63.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.98 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 126.65 25.43 1.26 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.394 -0.908 . . . . 10.0 112.9 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -74.36 -64.94 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.562 -0.533 . . . . 10.0 109.562 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 4.4 mp -78.74 125.31 38.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.405 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -71.6 126.05 28.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.971 0.415 . . . . 10.0 110.638 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 15.4 m -74.65 160.23 81.48 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -57.4 110.12 0.56 Allowed 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.893 2.395 . . . . 10.0 112.623 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -118.2 131.47 24.18 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.229 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -68.31 84.15 0.47 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.553 2.169 . . . . 10.0 112.151 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 11.5 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.832 -0.604 . . . . 10.0 110.452 -179.583 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.41 ' HB2' ' HB3' ' A' ' 63' ' ' LYS . 26.6 ptt? . . . . . 0 N--CA 1.477 0.91 0 N-CA-C 110.251 -0.277 . . . . 10.0 110.251 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -108.0 146.56 32.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.913 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.1 pt -132.19 162.75 39.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.021 178.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.453 ' O ' ' HA ' ' A' ' 66' ' ' THR . 86.5 m-85 -118.02 107.41 14.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.752 0.311 . . . . 10.0 110.903 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 13' ' ' ILE . 50.0 t -96.94 117.19 41.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.844 -0.428 . . . . 10.0 109.844 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 17.8 mttp -103.09 121.74 43.22 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.288 0.566 . . . . 10.0 111.603 -179.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.65 162.93 16.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.5 -0.773 . . . . 10.0 110.393 179.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.8 mt -57.27 -28.91 63.4 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.774 0.321 . . . . 10.0 111.853 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.56 4.12 12.01 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.185 0.439 . . . . 10.0 112.185 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.08 40.31 25.17 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.69 -0.767 . . . . 10.0 111.805 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 44.5 tttp -113.04 125.23 54.16 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.904 -0.148 . . . . 10.0 110.707 -179.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.4 m -100.86 111.61 23.87 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.926 0.393 . . . . 10.0 110.2 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 5' ' ' VAL . 0.7 OUTLIER -99.57 123.6 52.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.87 -179.512 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.28 110.11 20.92 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.756 -0.461 . . . . 10.0 109.756 178.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.1 mt -115.53 143.9 44.65 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.089 0.471 . . . . 10.0 111.694 -178.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -95.02 121.86 37.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.381 -0.827 . . . . 10.0 109.445 179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.5 m -143.84 -179.31 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.918 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -141.88 155.17 66.06 Favored Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 108.565 -0.902 . . . . 10.0 108.565 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.06 -32.57 69.72 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.339 2.026 . . . . 10.0 112.927 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.46 7.23 20.45 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.204 0.446 . . . . 10.0 112.204 -179.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -85.61 139.89 31.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.752 0.31 . . . . 10.0 110.252 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.51 144.45 31.32 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.743 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.7 mm -56.87 -39.47 65.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.109 0.48 . . . . 10.0 110.056 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -56.73 -38.61 72.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.266 -0.879 . . . . 10.0 110.66 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -67.78 -37.23 81.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.022 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.408 ' O ' HG13 ' A' ' 30' ' ' ILE . 40.3 t -63.67 -39.76 86.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.911 -0.586 . . . . 10.0 109.854 179.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -60.44 -40.19 90.22 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.433 0.635 . . . . 10.0 109.969 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.11 -35.67 80.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.421 -0.808 . . . . 10.0 110.558 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.01 -36.84 85.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.165 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 26' ' ' VAL . 59.5 mt -73.15 -32.8 40.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 121.433 0.635 . . . . 10.0 109.77 178.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -64.28 -39.51 94.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.379 -0.828 . . . . 10.0 110.629 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -72.96 -15.54 61.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.04 0.448 . . . . 10.0 111.014 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -87.66 -69.99 0.65 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.206 0.447 . . . . 10.0 112.206 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -94.06 -6.9 44.11 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.695 0.628 . . . . 10.0 112.695 -177.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.33 28.63 59.6 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.362 -0.923 . . . . 10.0 112.126 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.7 mt -93.9 122.38 62.19 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 110.309 -0.256 . . . . 10.0 110.309 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -56.37 131.1 43.69 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.478 2.119 . . . . 10.0 111.901 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.86 -33.3 81.2 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 123.168 2.579 . . . . 10.0 113.174 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -67.02 -20.33 65.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.186 0.517 . . . . 10.0 111.066 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -103.06 8.82 38.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.935 0.398 . . . . 10.0 110.614 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -101.24 129.43 47.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.112 -0.494 . . . . 10.0 110.75 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.421 ' HB3' ' HB ' ' A' ' 70' ' ' VAL . 32.8 ttt180 -126.51 98.38 5.39 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.661 -0.496 . . . . 10.0 109.661 178.34 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 65.9 mt -87.32 131.14 34.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.88 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 74.9 mt -125.43 133.71 68.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.526 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -126.93 115.88 19.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.106 -0.497 . . . . 10.0 109.846 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.18 23.46 13.66 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.861 -0.609 . . . . 10.0 112.215 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.21 -4.13 64.67 Favored Glycine 0 CA--C 1.517 0.199 0 C-N-CA 120.779 -0.724 . . . . 10.0 112.868 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -105.66 138.98 40.95 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.969 -0.382 . . . . 10.0 109.969 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -82.18 141.06 33.36 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.232 -0.284 . . . . 10.0 110.232 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.4 mt -93.3 128.67 39.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.608 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -88.71 144.84 26.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.458 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -63.95 -27.28 69.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.405 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.77 33.56 4.77 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.624 -0.798 . . . . 10.0 112.97 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.8 mmt-85 -132.7 162.29 31.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.816 0.308 . . . . 10.0 110.328 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.642 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 0.2 OUTLIER -98.34 164.57 12.24 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 179.491 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 23.1 mt -64.46 -39.04 93.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.916 0.388 . . . . 10.0 111.305 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 p -69.05 -16.09 63.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.041 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.642 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.0 OUTLIER -62.83 -31.66 72.71 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.093 0.473 . . . . 10.0 110.726 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -107.68 16.53 23.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.996 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.9 t30 62.66 26.27 15.57 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.231 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.6 mt -76.47 113.22 15.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.064 0.459 . . . . 10.0 110.244 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -108.68 -160.6 0.73 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.732 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.41 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 17.3 pttp -76.15 148.16 38.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.974 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 60.76 43.26 12.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.767 -0.651 . . . . 10.0 111.537 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.1 m -106.1 143.23 34.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.506 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 18.4 m -98.4 125.57 43.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.007 0.432 . . . . 10.0 111.203 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 mp -115.05 145.73 42.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.596 -0.729 . . . . 10.0 109.479 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -98.56 134.39 41.58 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.562 0.22 . . . . 10.0 110.467 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.8 tp -116.17 105.26 12.38 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.003 0.43 . . . . 10.0 110.832 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.421 ' HB ' ' HB3' ' A' ' 42' ' ' ARG . 42.2 t -97.05 133.32 39.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.728 179.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 66.4 mt -86.26 124.15 32.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.793 0.33 . . . . 10.0 111.091 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 -96.09 109.85 22.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.007 -0.542 . . . . 10.0 109.972 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 30.0 mt -107.84 141.49 39.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.043 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -122.89 18.83 10.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.365 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.52 12.25 54.23 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.829 -0.623 . . . . 10.0 112.665 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.174 0 CA-C-O 118.722 -1.043 . . . . 10.0 112.399 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.486 1.342 0 N-CA-C 109.886 -0.413 . . . . 10.0 109.886 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -119.15 152.09 37.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.03 0.443 . . . . 10.0 111.505 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 19.3 pt -130.62 162.03 39.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.533 -0.758 . . . . 10.0 110.064 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.481 ' O ' ' HA ' ' B' ' 66' ' ' THR . 80.1 m-85 -107.71 117.01 32.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.74 0.305 . . . . 10.0 110.908 -179.296 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 46.7 t -99.57 118.51 46.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.803 -0.443 . . . . 10.0 109.803 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -102.59 132.95 48.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.026 0.441 . . . . 10.0 111.049 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.89 154.23 22.42 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.552 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 61.7 mt -61.51 -20.22 62.96 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.764 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.51 4.14 22.32 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.597 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.12 46.43 10.33 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.717 -0.754 . . . . 10.0 111.436 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 13.4 tttp -126.18 141.15 52.05 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.081 -0.34 . . . . 10.0 110.081 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.6 m -125.44 115.47 20.32 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.329 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 22.2 mt -113.25 132.65 61.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.527 -0.306 . . . . 10.0 110.798 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.25 122.61 41.62 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.821 0.344 . . . . 10.0 110.178 178.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 66.0 mt -119.93 146.39 45.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.427 -0.351 . . . . 10.0 111.54 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -86.49 120.38 27.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.863 -0.608 . . . . 10.0 109.464 178.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 14.6 m -134.48 174.4 13.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.013 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -130.81 160.04 68.41 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.273 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -62.44 -22.66 74.35 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.252 1.968 . . . . 10.0 112.006 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.67 9.95 42.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.939 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -77.11 141.1 40.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.005 0.431 . . . . 10.0 110.723 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 16.3 m -94.87 144.52 25.59 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.646 -0.706 . . . . 10.0 110.704 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.53 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 45.5 mm -53.88 -41.49 49.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.455 -0.339 . . . . 10.0 110.698 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -57.39 -39.72 76.7 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.647 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -67.44 -37.18 82.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.114 -0.494 . . . . 10.0 109.68 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 67.1 t -64.1 -39.19 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.87 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' B' ' 23' ' ' ILE . 9.9 mmmm -60.0 -41.39 91.98 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.838 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.66 -35.96 82.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.298 -0.864 . . . . 10.0 110.787 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.12 -46.25 84.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.344 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 61.8 mt -64.44 -36.92 78.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-O 121.294 0.569 . . . . 10.0 110.161 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -61.97 -38.25 87.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.751 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -77.19 -16.03 59.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.463 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -93.62 -62.26 1.39 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.909 0.337 . . . . 10.0 111.909 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -87.93 -21.22 25.04 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.648 0.61 . . . . 10.0 112.648 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.24 37.29 15.41 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.296 -0.954 . . . . 10.0 112.56 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.4 mt -114.33 126.32 28.13 Favored Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 109.967 -0.383 . . . . 10.0 109.967 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.466 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 50.2 Cg_exo -53.42 139.55 64.94 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.819 2.346 . . . . 10.0 112.568 179.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 16.7 Cg_exo -67.37 -5.75 14.71 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.295 2.663 . . . . 10.0 113.725 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -78.82 -43.43 25.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.059 0.457 . . . . 10.0 110.933 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.41 ' OE1' ' HB2' ' B' ' 37' ' ' PRO . 22.8 mp0 -82.53 -7.1 59.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.981 -0.554 . . . . 10.0 111.076 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -81.11 109.71 15.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.019 -0.537 . . . . 10.0 112.231 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -107.63 108.19 19.34 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.73 -0.841 . . . . 10.0 108.73 177.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 42.0 mt -90.31 119.36 30.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.904 0.383 . . . . 10.0 111.27 -178.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mp -116.33 142.2 30.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.901 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -134.38 108.86 8.41 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.297 -0.411 . . . . 10.0 110.09 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.65 19.34 11.27 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.852 -0.613 . . . . 10.0 112.205 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.28 -14.64 33.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.697 -0.763 . . . . 10.0 113.167 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -104.91 138.31 41.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.674 0.237 . . . . 10.0 110.369 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.414 HE21 ' HB3' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -81.58 144.21 31.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.8 0.333 . . . . 10.0 110.436 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 23.4 mt -95.12 126.68 40.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.957 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.514 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 17.6 mt-10 -73.71 138.25 44.54 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.878 -0.786 . . . . 10.0 108.878 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.32 -42.0 81.03 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.399 0.518 . . . . 10.0 112.399 -178.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.52 47.09 3.75 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.616 -0.802 . . . . 10.0 113.804 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.514 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 28.6 mmt180 -132.51 165.31 24.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.845 0.355 . . . . 10.0 110.353 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 1.8 m -97.74 156.73 16.43 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.925 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 55.0 mt -59.99 -48.25 82.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.987 0.422 . . . . 10.0 110.935 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.0 m -70.33 -7.93 46.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.588 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.81 -33.5 72.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.232 0.539 . . . . 10.0 109.569 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -100.17 14.7 29.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.444 -0.798 . . . . 10.0 110.396 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 65.52 24.28 11.82 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.466 -0.788 . . . . 10.0 111.4 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 86.4 mt -71.08 123.43 25.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.057 0.456 . . . . 10.0 109.813 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -110.75 -167.03 1.13 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.273 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -74.31 151.99 39.71 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.587 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 64.02 15.61 9.34 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.558 0.577 . . . . 10.0 112.558 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 40.0 m -75.32 146.24 41.12 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.071 -0.344 . . . . 10.0 110.071 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.481 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 4.5 m -99.44 117.36 33.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.074 0.464 . . . . 10.0 111.339 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.5 mp -99.71 128.84 45.8 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.628 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.517 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 41.1 m80 -89.91 114.31 26.08 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.485 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.0 tp -96.83 108.03 20.63 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.911 0.386 . . . . 10.0 110.654 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 90.2 t -102.22 128.08 55.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.218 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 79.8 mt -104.56 125.51 50.77 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.18 156.79 17.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.206 0.526 . . . . 10.0 111.481 -179.051 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 4.9 mp -126.52 110.17 12.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.864 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 39.5 ptt85 -116.17 16.84 15.9 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.945 0.402 . . . . 10.0 110.703 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.39 -8.24 60.32 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.29 -0.724 . . . . 10.0 111.29 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.194 0 CA-C-O 118.101 -1.388 . . . . 10.0 111.082 179.82 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 120.472 0.177 . . . . 10.0 110.852 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 68.7 16.5 8.97 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.343 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.09 -45.75 87.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.75 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -67.95 -37.56 81.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.517 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 57.6 mt -66.32 -41.95 88.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.689 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -64.75 -40.17 94.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.068 0.461 . . . . 10.0 110.47 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -67.4 -42.35 83.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.622 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 37.1 mtm -65.65 -39.55 91.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.9 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.87 -37.64 85.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.742 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 462' ' ' HIS . . . . . 0.46 ' O ' ' HG3' ' D' ' 466' ' ' GLU . 69.0 t60 -58.25 -44.4 88.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.107 179.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 463' ' ' GLN . . . . . 0.473 ' O ' ' HG2' ' D' ' 467' ' ' MET . 26.4 tp60 -60.06 -40.58 89.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.657 -0.701 . . . . 10.0 110.883 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 69.7 mt -72.4 -40.02 63.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.075 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 43.0 tp60 -59.43 -28.17 66.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.755 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' D' ' 462' ' ' HIS . 22.3 mt-10 -76.3 -21.27 56.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.663 179.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 467' ' ' MET . . . . . 0.517 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 34.9 mmm -89.41 -33.46 16.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.443 0.639 . . . . 10.0 109.754 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 468' ' ' PHE . . . . . 0.407 ' O ' HG13 ' D' ' 471' ' ' VAL . 4.6 m-85 -128.37 85.11 61.27 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.627 -0.715 . . . . 10.0 110.741 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -82.76 31.24 0.52 Allowed 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.72 2.28 . . . . 10.0 112.397 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -135.15 14.45 3.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.083 -179.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 471' ' ' VAL . . . . . 0.407 HG13 ' O ' ' D' ' 468' ' ' PHE . 10.5 p -121.17 132.42 24.22 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.351 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 472' ' ' PRO . . . . . 0.423 ' HB3' ' CE1' ' D' ' 474' ' ' HIS . 58.1 Cg_exo -53.16 120.71 8.15 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.687 2.258 . . . . 10.0 112.432 179.177 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -54.8 -37.5 66.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.332 -0.849 . . . . 10.0 112.614 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 474' ' ' HIS . . . . . 0.423 ' CE1' ' HB3' ' D' ' 472' ' ' PRO . 49.5 p-80 -65.7 -27.82 68.62 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 121.051 -0.26 . . . . 10.0 111.491 -179.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 74.6 mt -79.08 -32.52 44.73 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.923 -0.399 . . . . 10.0 109.923 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 51.6 t -64.66 -42.73 95.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.466 0.651 . . . . 10.0 109.487 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 47.1 mt -63.79 -25.88 68.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.764 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.04 -47.1 66.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.344 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -67.44 -32.58 73.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.344 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.29 -24.33 66.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.714 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -95.91 3.46 53.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.462 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -112.62 -54.81 2.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.238 -179.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 67.3 p -92.79 -39.92 10.96 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.836 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 65.35 35.86 7.27 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.449 -0.796 . . . . 10.0 111.354 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 1.7 t -147.79 123.4 10.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.997 -0.547 . . . . 10.0 109.828 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 15.6 m -60.61 -32.98 52.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.975 0.417 . . . . 10.0 111.124 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -68.03 -47.93 67.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.664 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 488' ' ' ILE . . . . . 0.41 ' O ' ' HB2' ' D' ' 492' ' ' ASN . 61.2 mt -71.99 -43.52 67.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.762 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 52.0 m -54.88 -51.98 64.27 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.109 0.411 . . . . 10.0 112.109 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 4.2 m -60.74 -41.93 96.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.601 -178.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -70.89 -36.91 72.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.963 0.411 . . . . 10.0 110.49 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 492' ' ' ASN . . . . . 0.448 ' ND2' ' HG2' ' D' ' 497' ' ' ARG . 5.3 t30 -56.1 -41.96 76.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.659 -0.7 . . . . 10.0 109.463 178.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 75.1 mt -67.12 -40.71 85.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.723 -0.672 . . . . 10.0 110.03 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -37.36 85.11 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.97 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -71.75 -21.12 61.79 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.136 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 101.94 26.93 7.25 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.7 -0.762 . . . . 10.0 112.939 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 497' ' ' ARG . . . . . 0.448 ' HG2' ' ND2' ' D' ' 492' ' ' ASN . 17.1 tpp180 -72.69 -43.0 63.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.31 0.576 . . . . 10.0 109.891 179.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 2.6 mp -96.14 130.93 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-N 115.221 -0.9 . . . . 10.0 108.94 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -67.56 126.53 29.63 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.051 0.453 . . . . 10.0 111.329 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 30.1 m -78.79 161.58 68.45 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.453 -0.794 . . . . 10.0 109.5 178.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.93 102.25 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.701 2.268 . . . . 10.0 112.371 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -97.28 131.65 27.0 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.56 -0.745 . . . . 10.0 110.16 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -63.34 93.78 0.16 Allowed 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.777 2.318 . . . . 10.0 112.587 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 13.9 t . . . . . 0 C--O 1.252 1.202 0 CA-C-O 118.058 -0.972 . . . . 10.0 109.585 179.555 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 110.178 -0.304 . . . . 10.0 110.178 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -108.55 144.6 36.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.796 0.332 . . . . 10.0 111.322 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.4 pt -130.72 162.37 38.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.857 -0.611 . . . . 10.0 109.446 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -117.34 109.95 17.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.675 0.274 . . . . 10.0 110.723 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 49.4 t -98.14 116.67 41.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.002 0.429 . . . . 10.0 110.02 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -99.5 125.99 45.35 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.011 0.434 . . . . 10.0 111.222 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.442 ' O ' ' HG3' ' D' ' 503' ' ' PRO . 21.5 p -93.08 149.12 21.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.253 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.6 mt -65.74 -13.65 59.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 10.0 111.055 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.63 -24.89 58.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.751 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.7 44.28 1.15 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.75 -0.738 . . . . 10.0 112.789 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -142.47 138.13 30.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.778 0.323 . . . . 10.0 111.074 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.9 123.91 45.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.106 -0.497 . . . . 10.0 109.968 178.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.4 mt -105.8 134.98 45.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.993 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.28 128.61 45.42 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.625 178.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.6 mt -131.85 134.7 46.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.015 0.435 . . . . 10.0 111.719 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.3 102.29 14.96 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.461 -0.94 . . . . 10.0 108.461 178.105 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.9 m -127.32 -179.31 2.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.151 -0.477 . . . . 10.0 111.023 -178.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.473 ' O ' HD11 ' A' ' 56' ' ' LEU . 8.3 mm-40 -143.23 161.03 49.91 Favored Pre-proline 0 C--N 1.321 -0.657 0 N-CA-C 108.996 -0.742 . . . . 10.0 108.996 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -56.04 -26.18 58.04 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.342 2.028 . . . . 10.0 112.927 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -88.8 8.04 31.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.758 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -85.53 140.49 30.6 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.962 -0.384 . . . . 10.0 109.962 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.477 ' O ' HG22 ' A' ' 26' ' ' VAL . 2.8 p -94.11 152.05 19.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.653 -179.403 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.6 mm -58.51 -35.6 55.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.002 0.43 . . . . 10.0 110.026 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -41.84 98.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.19 178.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -69.65 -37.81 76.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.433 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 22' ' ' THR . 95.5 t -63.23 -39.34 84.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.889 178.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -60.25 -41.96 94.3 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.763 179.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.62 -34.34 76.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.394 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -68.38 -36.24 78.88 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.329 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 68.1 mt -70.04 -35.48 64.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.43 -0.582 . . . . 10.0 109.43 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.504 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 22.0 tt0 -69.32 -26.4 64.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.592 -0.731 . . . . 10.0 109.845 179.003 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -77.17 -38.99 50.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.567 -0.742 . . . . 10.0 111.167 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -87.02 -57.79 2.83 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.751 0.648 . . . . 10.0 112.751 -178.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -86.55 -23.36 25.86 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.274 0.472 . . . . 10.0 112.274 -177.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.504 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 82.12 15.05 75.62 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.355 -0.926 . . . . 10.0 113.1 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.0 mt -85.54 123.15 73.11 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 110.304 -0.258 . . . . 10.0 110.304 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -55.73 131.43 46.05 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.683 2.255 . . . . 10.0 112.239 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.74 -26.31 55.86 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 123.09 2.527 . . . . 10.0 112.489 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -69.04 -18.89 64.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.563 -0.744 . . . . 10.0 111.333 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -109.21 5.35 23.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.546 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -93.84 126.64 39.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.884 -179.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.5 mtt180 -127.41 102.0 6.7 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.957 -0.757 . . . . 10.0 108.957 177.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.0 mt -90.15 124.2 34.63 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.603 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mp -116.77 128.84 74.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.67 -0.695 . . . . 10.0 109.644 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -124.19 116.45 22.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.173 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.7 18.09 9.3 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.754 -0.657 . . . . 10.0 112.072 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.26 -11.02 51.3 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.813 -0.708 . . . . 10.0 112.89 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -102.07 136.98 40.95 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.079 -0.341 . . . . 10.0 110.079 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -80.94 131.98 35.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.032 0.444 . . . . 10.0 110.582 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.9 mt -86.26 125.48 33.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.737 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.496 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 41.8 mt-10 -83.52 150.69 25.82 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.887 -0.412 . . . . 10.0 109.887 179.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.53 -41.91 91.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.432 -0.349 . . . . 10.0 111.606 -179.228 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.8 45.12 3.46 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.929 -0.653 . . . . 10.0 113.124 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.496 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 21.8 mmt180 -133.3 159.21 40.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.719 0.295 . . . . 10.0 110.257 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -104.55 157.9 16.85 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.906 179.247 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.473 HD11 ' O ' ' A' ' 18' ' ' GLU . 61.7 mt -62.52 -33.82 75.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.025 0.441 . . . . 10.0 111.079 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.73 -24.55 62.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.099 -0.501 . . . . 10.0 111.064 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 55' ' ' THR . 31.2 m-20 -62.69 -31.73 72.68 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.19 -179.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -104.33 10.33 35.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.618 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 59.18 41.44 20.29 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.793 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 77.3 mt -85.18 112.93 22.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.118 -0.492 . . . . 10.0 109.803 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -100.65 -166.98 1.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.243 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -76.92 151.12 35.87 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.837 0.351 . . . . 10.0 110.982 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 68.76 19.8 8.32 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.589 -0.732 . . . . 10.0 111.692 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.9 m -86.75 147.93 25.64 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.981 -0.378 . . . . 10.0 109.981 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.9 m -101.95 131.1 48.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.026 0.441 . . . . 10.0 111.511 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -115.79 139.28 50.32 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.934 -0.765 . . . . 10.0 108.934 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -99.98 126.71 46.19 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.765 0.316 . . . . 10.0 110.478 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.5 tp -105.83 110.41 22.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.326 0.584 . . . . 10.0 110.607 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.4 t -100.53 132.96 45.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.428 -0.806 . . . . 10.0 110.019 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 78.0 mt -92.86 126.35 37.9 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.856 -0.424 . . . . 10.0 109.856 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -101.11 114.17 27.86 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.023 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 66.9 mt -98.97 135.03 40.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.977 -0.556 . . . . 10.0 109.512 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.626 ' O ' ' HD3' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -116.2 9.92 14.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.995 0.426 . . . . 10.0 110.918 -179.514 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -179.42 109.17 0.26 Allowed Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.455 -0.879 . . . . 10.0 112.371 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.152 0 CA-C-O 118.344 -1.253 . . . . 10.0 111.533 179.618 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.432 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 26.1 ptt? . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 110.091 -0.337 . . . . 10.0 110.091 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -102.81 139.02 38.94 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.38 -0.373 . . . . 10.0 111.437 -178.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 23.4 pt -124.94 164.17 24.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.403 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.459 ' O ' ' HA ' ' B' ' 66' ' ' THR . 64.2 m-85 -118.95 110.51 17.22 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.972 0.415 . . . . 10.0 110.866 -179.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 43.2 t -98.16 121.37 48.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 109.812 -0.44 . . . . 10.0 109.812 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -104.16 135.25 46.0 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.011 0.434 . . . . 10.0 111.097 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.5 p -99.77 169.15 9.45 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.915 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 56.1 mt -76.4 -1.29 26.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.153 0.501 . . . . 10.0 110.349 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.61 -27.93 16.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.482 179.095 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.75 3.12 23.75 Favored Glycine 0 C--N 1.333 0.374 0 C-N-CA 121.043 -0.598 . . . . 10.0 112.189 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 41.7 tttt -86.2 133.45 33.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.618 0.247 . . . . 10.0 110.766 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.2 m -102.27 115.41 30.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.27 -0.423 . . . . 10.0 109.905 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 15.9 mt -99.65 121.23 50.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.264 -0.426 . . . . 10.0 111.366 -179.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.39 131.35 36.93 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 178.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 56.1 mt -138.45 146.93 42.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.049 0.452 . . . . 10.0 112.032 -178.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -98.18 116.27 30.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.187 -0.915 . . . . 10.0 109.287 178.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.432 ' O ' ' HG2' ' B' ' 1' ' ' MET . 4.6 m -141.06 154.67 21.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.374 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -106.81 151.64 40.61 Favored Pre-proline 0 C--N 1.319 -0.734 0 N-CA-C 109.395 -0.594 . . . . 10.0 109.395 178.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.67 -25.32 41.35 Favored 'Trans proline' 0 CA--C 1.533 0.435 0 C-N-CA 122.809 2.34 . . . . 10.0 113.172 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.81 4.71 48.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.409 -0.36 . . . . 10.0 111.932 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -78.75 151.73 31.9 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.72 0.295 . . . . 10.0 110.388 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.9 m -95.04 143.8 26.22 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.559 -178.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.422 HG12 ' O ' ' B' ' 54' ' ' ARG . 46.8 mm -53.21 -40.74 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 C-N-CA 122.474 0.31 . . . . 10.0 111.347 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -58.8 -35.6 73.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.906 0.384 . . . . 10.0 110.778 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.447 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 65.8 t30 -75.01 -35.29 61.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.049 0.452 . . . . 10.0 110.265 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 58.8 t -62.3 -48.22 89.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.326 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -69.5 -24.83 63.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.543 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.43 -32.14 70.92 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 178.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 95.9 mttt -71.27 -34.4 70.65 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.132 -0.692 . . . . 10.0 109.132 178.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 39.8 mt -70.36 -28.31 34.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 178.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -65.75 -23.45 66.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.491 -0.777 . . . . 10.0 109.949 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -92.51 -44.48 8.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.284 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 38.8 tttt -66.69 -43.12 85.25 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.714 -0.676 . . . . 10.0 111.663 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -101.31 -48.09 4.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.706 0.289 . . . . 10.0 111.184 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.62 -12.99 22.96 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.616 -0.802 . . . . 10.0 111.892 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 33.1 mt -68.26 125.79 91.96 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.565 -0.318 . . . . 10.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.87 146.99 64.68 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 122.967 2.445 . . . . 10.0 112.413 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -60.99 -24.77 80.31 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.765 2.31 . . . . 10.0 113.023 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.22 -23.72 63.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.0 0.429 . . . . 10.0 111.117 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -101.95 6.62 41.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.167 -0.47 . . . . 10.0 111.047 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -103.86 104.63 14.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.615 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -103.9 106.53 17.07 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.647 -0.871 . . . . 10.0 108.647 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 65.5 mt -95.21 127.4 41.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.166 0.508 . . . . 10.0 111.775 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.6 mp -126.35 140.31 49.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.463 -0.79 . . . . 10.0 110.124 179.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.42 ' HB3' HD21 ' B' ' 50' ' ' LEU . 78.4 t80 -132.81 118.7 19.32 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.526 -0.546 . . . . 10.0 109.526 179.106 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.69 32.82 22.58 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.242 0.544 . . . . 10.0 111.186 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.08 -11.38 62.9 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.921 -0.657 . . . . 10.0 112.662 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -92.86 129.22 38.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.698 0.249 . . . . 10.0 110.502 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -75.52 132.56 40.82 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.501 HD23 ' CD2' ' B' ' 59' ' ' TYR . 22.3 mt -89.44 122.75 32.94 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.564 0.221 . . . . 10.0 111.509 -178.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.466 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 16.7 mt-10 -74.12 142.71 45.54 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.607 -0.516 . . . . 10.0 109.607 178.431 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.61 -37.12 72.74 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.363 0.505 . . . . 10.0 112.363 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.71 32.64 5.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 10.0 114.616 -177.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.466 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 19.6 mmt180 -123.53 168.04 13.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.837 0.819 . . . . 10.0 109.996 178.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 23.0 p -105.83 174.11 6.02 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.748 0.309 . . . . 10.0 110.454 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 89.9 mt -68.25 -47.72 66.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.973 0.416 . . . . 10.0 111.135 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -61.03 -26.59 67.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.107 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -62.86 -27.44 69.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.521 -0.763 . . . . 10.0 111.386 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.501 ' CD2' HD23 ' B' ' 50' ' ' LEU . 50.0 m-85 -109.65 13.81 23.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.184 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 68.64 21.99 7.72 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 123.757 0.66 . . . . 10.0 111.501 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 59.2 mt -78.09 117.05 22.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.426 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -107.94 -168.04 1.32 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.057 -0.52 . . . . 10.0 109.969 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 56.8 pttt -74.02 153.06 39.85 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.88 -0.328 . . . . 10.0 110.558 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 66.89 14.02 9.66 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.75 0.656 . . . . 10.0 112.404 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 16.1 m -81.97 144.59 30.8 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.989 -0.284 . . . . 10.0 110.276 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 46.6 m -96.03 131.57 42.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.961 0.41 . . . . 10.0 110.927 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 mp -113.2 134.9 54.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.106 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -87.89 122.39 31.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.1 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 38.5 tp -106.64 108.09 19.42 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.022 0.439 . . . . 10.0 110.695 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 78.3 t -98.75 121.75 49.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.712 -0.677 . . . . 10.0 110.162 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 55.9 mt -89.61 122.07 32.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.019 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.94 165.32 13.24 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.985 0.421 . . . . 10.0 111.111 -179.54 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 6.4 mp -118.42 131.98 56.26 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.988 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -104.65 -21.36 13.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.74 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 157.01 178.75 31.38 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.912 -0.661 . . . . 10.0 111.764 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.077 -1.402 . . . . 10.0 111.274 179.609 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 110.263 -0.273 . . . . 10.0 110.263 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 58.33 32.72 22.41 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.502 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.78 -46.64 68.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.239 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 47.2 mm-40 -67.69 -33.13 74.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.412 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 86.4 mt -66.8 -39.19 87.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.194 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -66.56 -42.4 87.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.935 0.397 . . . . 10.0 109.948 179.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -60.74 -41.23 94.95 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.888 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 43.6 mtm -70.68 -41.21 72.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.775 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.42 -42.87 95.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.733 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -61.49 -30.76 70.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.601 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -63.58 -40.85 98.0 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.724 -0.473 . . . . 10.0 109.724 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 52.8 mt -73.83 -40.02 52.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.078 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -60.53 -25.44 66.13 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.796 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -75.84 -33.3 60.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.661 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 35.0 mmm -81.16 -45.05 16.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.687 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 468' ' ' PHE . . . . . 0.466 ' O ' HG13 ' D' ' 471' ' ' VAL . 61.7 m-85 -126.12 99.63 31.13 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.242 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -87.1 -1.21 7.9 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.823 2.349 . . . . 10.0 113.187 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 16.6 pm0 -88.84 1.82 54.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.762 0.315 . . . . 10.0 111.459 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 471' ' ' VAL . . . . . 0.466 HG13 ' O ' ' D' ' 468' ' ' PHE . 13.8 p -103.28 134.7 19.62 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.591 -0.277 . . . . 10.0 110.432 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 472' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' D' ' 471' ' ' VAL . 31.3 Cg_exo -60.92 121.3 9.48 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.364 2.043 . . . . 10.0 111.476 178.504 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -52.98 -38.93 62.62 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.679 -0.691 . . . . 10.0 112.564 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -65.68 -29.78 70.38 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.081 -0.248 . . . . 10.0 111.41 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 35.0 mt -78.19 -27.46 47.94 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.919 -0.4 . . . . 10.0 109.919 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 43.3 t -69.76 -41.79 80.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.032 -0.729 . . . . 10.0 109.032 178.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 80.1 mt -63.91 -30.16 71.27 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.431 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -59.47 -56.47 21.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.944 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -66.49 -30.56 70.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.038 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.5 -31.82 71.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.787 0.327 . . . . 10.0 110.414 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -92.77 5.39 51.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.418 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -113.3 -47.03 3.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.333 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 72.1 p -102.87 -35.95 8.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.644 0.259 . . . . 10.0 111.569 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? 64.96 33.16 10.05 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.151 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 10.3 t -142.88 118.05 10.13 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.876 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -57.44 -34.97 47.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.979 0.419 . . . . 10.0 110.364 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -62.15 -54.74 36.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.417 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 66.0 mt -63.91 -45.65 96.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.409 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 489' ' ' THR . . . . . 0.402 ' O ' HG13 ' D' ' 493' ' ' ILE . 93.1 m -56.56 -50.65 71.26 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.095 0.406 . . . . 10.0 112.095 -179.373 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 10.5 m -61.16 -43.22 99.23 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.461 0.172 . . . . 10.0 111.406 -179.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -67.67 -42.37 82.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.112 0.482 . . . . 10.0 109.879 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -53.87 -42.5 68.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.385 -0.825 . . . . 10.0 110.854 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 493' ' ' ILE . . . . . 0.402 HG13 ' O ' ' D' ' 489' ' ' THR . 85.5 mt -64.5 -46.07 93.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.626 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -22.2 65.25 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.997 0.427 . . . . 10.0 110.753 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -80.22 -40.13 27.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.097 0.475 . . . . 10.0 110.439 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 130.03 10.91 2.68 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.255 -0.974 . . . . 10.0 113.262 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 -64.36 -40.5 95.97 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.731 0.777 . . . . 10.0 109.042 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 1.7 mp -100.0 125.82 53.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 114.904 -1.044 . . . . 10.0 108.264 178.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -72.77 122.26 21.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.885 0.374 . . . . 10.0 110.574 -179.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 26.2 m -71.77 157.83 88.94 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.47 -0.787 . . . . 10.0 110.521 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -50.17 111.5 0.54 Allowed 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.815 2.343 . . . . 10.0 112.767 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -121.52 144.46 40.33 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.031 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 503' ' ' PRO . . . . . 0.442 ' HG3' ' O ' ' A' ' 7' ' ' THR . 24.6 Cg_endo -62.22 131.73 35.69 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.573 2.182 . . . . 10.0 112.051 179.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.251 1.156 0 CA-C-O 118.466 -0.778 . . . . 10.0 109.948 -179.951 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.434 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 21.6 ptt? . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 109.984 -0.376 . . . . 10.0 109.984 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -98.48 134.77 40.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.51 -0.314 . . . . 10.0 110.827 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.8 pt -123.1 160.06 26.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.13 -0.487 . . . . 10.0 109.889 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -115.44 115.51 26.66 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.85 0.357 . . . . 10.0 111.094 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.3 t -107.42 122.42 61.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.513 -0.551 . . . . 10.0 109.513 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -105.6 139.62 39.93 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.207 0.527 . . . . 10.0 111.345 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.53 -178.25 3.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.551 -0.749 . . . . 10.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 35.0 mt -65.11 -29.0 69.82 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.255 -0.43 . . . . 10.0 111.115 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.19 1.21 25.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.267 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.18 9.49 86.99 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.897 -0.668 . . . . 10.0 111.91 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -77.45 123.38 26.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.693 0.282 . . . . 10.0 110.322 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -95.99 115.88 28.1 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.3 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.5 mp -105.94 123.23 60.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.546 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 m -90.01 130.97 36.13 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.1 mt -129.85 150.69 51.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.808 0.337 . . . . 10.0 110.993 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -101.58 113.08 25.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.681 -0.69 . . . . 10.0 109.724 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.434 ' O ' ' HG2' ' A' ' 1' ' ' MET . 3.2 m -142.02 153.49 18.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.812 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.541 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 65.0 mm-40 -107.88 160.8 25.51 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 108.91 -0.774 . . . . 10.0 108.91 178.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.34 -24.55 43.25 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.34 2.027 . . . . 10.0 113.041 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.9 -3.02 59.03 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.788 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.541 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.3 OUTLIER -69.16 130.01 41.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.803 0.335 . . . . 10.0 110.729 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.503 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -79.48 144.64 33.82 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.503 -0.555 . . . . 10.0 109.503 178.906 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.9 mm -54.68 -42.18 59.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.731 0.3 . . . . 10.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -59.15 -40.9 86.99 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.118 0.485 . . . . 10.0 110.207 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -65.72 -38.52 89.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.853 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 22' ' ' THR . 44.3 t -65.09 -42.91 95.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.014 179.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -62.9 -35.06 78.82 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.537 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.05 -36.7 84.88 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.985 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -66.25 -34.42 77.96 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.935 179.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 55.1 mt -70.49 -34.82 59.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.25 0.547 . . . . 10.0 109.563 178.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -70.44 -35.53 73.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.095 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -72.65 -33.55 66.66 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.764 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -86.25 -61.62 1.7 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.853 -0.612 . . . . 10.0 112.174 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -81.9 -46.12 14.52 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.784 0.291 . . . . 10.0 111.784 -178.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.99 -13.31 17.03 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.443 -0.884 . . . . 10.0 112.548 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 29.1 mt -64.03 123.25 81.44 Favored Pre-proline 0 C--N 1.325 -0.478 0 C-N-CA 121.968 0.107 . . . . 10.0 110.918 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.51 133.1 49.75 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.683 2.255 . . . . 10.0 111.768 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.31 -21.44 52.73 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 123.227 2.618 . . . . 10.0 112.866 -179.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.99 -32.61 73.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.136 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -100.74 3.72 42.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.535 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -86.26 126.57 34.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.927 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -123.62 95.59 4.64 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 178.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 39.8 mt -83.84 123.78 30.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.937 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 81.6 mt -120.19 129.19 75.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.648 -0.706 . . . . 10.0 110.262 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -119.8 111.2 17.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.131 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.58 22.36 12.14 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.684 -0.689 . . . . 10.0 111.742 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.18 -13.14 55.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.873 -0.679 . . . . 10.0 112.521 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -93.29 131.59 38.27 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.547 0.213 . . . . 10.0 110.623 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -82.23 127.86 33.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.429 -0.351 . . . . 10.0 110.206 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.0 mt -83.35 129.16 34.98 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.812 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.464 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 39.8 mt-10 -84.27 164.32 19.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.193 179.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -62.27 -57.55 10.98 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.277 -0.419 . . . . 10.0 112.012 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.32 60.85 4.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.848 -0.691 . . . . 10.0 113.844 -178.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.464 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 24.4 mmt180 -138.33 158.33 44.49 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 178.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.543 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 33.2 p -107.17 172.87 6.58 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.697 -0.482 . . . . 10.0 109.697 178.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.4 mt -66.93 -33.56 75.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.076 0.465 . . . . 10.0 110.448 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.3 m -70.14 -16.27 63.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.888 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.543 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.8 OUTLIER -67.87 -21.7 65.15 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.014 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -122.35 13.56 10.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.986 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.8 t30 59.28 37.02 23.76 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.595 0.712 . . . . 10.0 110.897 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.2 mt -76.82 120.94 28.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.136 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -110.37 -161.2 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.452 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -79.74 151.56 30.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.579 -0.282 . . . . 10.0 110.3 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 66.48 22.2 10.7 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.305 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.1 m -77.53 146.8 36.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.856 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 m -109.16 123.21 48.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.026 -0.533 . . . . 10.0 110.642 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mp -114.99 141.99 47.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.308 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -101.6 123.96 46.48 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.172 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.6 tp -103.63 102.42 12.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.072 0.463 . . . . 10.0 110.494 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.7 t -94.12 133.01 36.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.888 -0.597 . . . . 10.0 109.742 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.7 mt -95.27 144.16 26.07 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.267 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -111.53 121.37 45.0 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.256 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 30.9 mt -104.15 149.92 24.81 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.206 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.55 ' HA ' ' NE ' ' A' ' 74' ' ' ARG . 2.0 mmp_? -135.31 116.24 14.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.024 0.44 . . . . 10.0 110.435 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.44 -70.81 0.62 Allowed Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.806 -0.634 . . . . 10.0 111.716 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.409 -1.217 . . . . 10.0 112.29 179.62 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.513 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 22.9 ptt? . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 110.223 -0.288 . . . . 10.0 110.223 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -110.67 140.84 44.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.567 0.222 . . . . 10.0 110.775 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 28.8 pt -134.31 157.88 41.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.433 -0.58 . . . . 10.0 109.433 178.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -114.49 115.55 27.42 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.259 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 52.1 t -99.64 123.86 52.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.618 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 19.5 tttp -102.9 141.85 35.0 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.162 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.6 p -113.48 170.28 8.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.71 0.29 . . . . 10.0 111.225 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 52.0 mt -72.0 -17.56 62.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.293 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.34 -11.49 51.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.038 0.447 . . . . 10.0 110.583 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.65 9.57 59.88 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.903 -0.665 . . . . 10.0 112.6 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.429 ' HZ3' ' CD ' ' B' ' 34' ' ' GLU . 82.8 tttt -84.91 127.08 34.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.805 0.336 . . . . 10.0 110.719 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -91.11 109.5 20.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.311 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.1 mt -100.38 123.34 53.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.295 -0.412 . . . . 10.0 111.105 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.4 132.91 38.54 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.539 -0.541 . . . . 10.0 109.539 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 27.3 mt -136.54 141.33 43.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.139 0.495 . . . . 10.0 111.748 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -99.21 114.78 27.75 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.299 -0.864 . . . . 10.0 108.821 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.513 ' O ' ' HG2' ' B' ' 1' ' ' MET . 3.9 m -142.5 163.82 17.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.509 -179.029 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.41 ' O ' HD12 ' B' ' 56' ' ' LEU . 65.1 mm-40 -113.21 156.46 42.98 Favored Pre-proline 0 C--N 1.315 -0.914 0 N-CA-C 109.057 -0.72 . . . . 10.0 109.057 178.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.41 -38.32 73.58 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.153 1.902 . . . . 10.0 112.521 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.5 m -84.56 6.96 21.67 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.474 0.546 . . . . 10.0 112.474 -178.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -76.54 131.45 38.97 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 179.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.84 143.93 47.65 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.507 -0.315 . . . . 10.0 111.104 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 48.8 mm -57.92 -34.87 49.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.592 -0.521 . . . . 10.0 109.592 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -57.86 -37.64 74.28 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.277 -0.874 . . . . 10.0 110.691 178.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -73.48 -33.08 64.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.717 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 42.7 t -64.23 -39.92 87.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.515 178.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -59.87 -39.41 85.15 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.394 0.616 . . . . 10.0 109.88 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.93 -35.33 78.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.367 -0.833 . . . . 10.0 110.712 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -66.62 -38.09 86.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.154 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 66.5 mt -71.41 -34.4 53.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.952 -0.758 . . . . 10.0 108.952 178.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -66.88 -32.58 73.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.035 -0.984 . . . . 10.0 110.281 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -78.67 -35.75 44.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.159 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -81.68 -67.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.314 0.487 . . . . 10.0 112.314 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.429 ' CD ' ' HZ3' ' B' ' 11' ' ' LYS . 25.4 mm-40 -75.31 -33.88 61.22 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.38 0.511 . . . . 10.0 112.38 -177.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.22 37.66 8.18 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.315 -0.945 . . . . 10.0 112.283 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.9 mt -111.69 125.37 30.48 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 109.846 -0.427 . . . . 10.0 109.846 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.94 136.28 60.05 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.754 2.303 . . . . 10.0 112.458 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -56.36 -25.41 56.92 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 123.052 2.501 . . . . 10.0 112.579 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -67.09 -17.67 64.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.391 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -112.0 12.12 20.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.779 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -106.3 125.67 51.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.401 -0.363 . . . . 10.0 111.447 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -129.48 102.22 6.3 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 178.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 28.6 mt -85.61 126.88 34.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.81 -178.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -124.39 134.82 65.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.576 -0.738 . . . . 10.0 110.07 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -116.88 99.44 7.09 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.863 -0.421 . . . . 10.0 109.863 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.82 34.97 24.05 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.789 -0.641 . . . . 10.0 111.537 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.51 -11.75 63.15 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.707 -0.759 . . . . 10.0 113.205 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -96.02 120.72 36.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.868 0.334 . . . . 10.0 110.433 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.41 129.97 38.77 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.784 -0.45 . . . . 10.0 109.784 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 11.1 mt -93.35 134.09 35.93 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.535 -179.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.485 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 30.3 mt-10 -88.76 143.66 26.77 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.647 -0.501 . . . . 10.0 109.647 178.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.83 -38.33 75.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.707 -179.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.55 34.55 2.91 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.054 -0.593 . . . . 10.0 113.694 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.485 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 19.5 mmt180 -135.86 164.91 26.85 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 179.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.46 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 64.3 p -105.76 169.54 8.42 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.881 -0.415 . . . . 10.0 109.881 179.032 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.41 HD12 ' O ' ' B' ' 18' ' ' GLU . 71.9 mt -66.35 -36.25 82.4 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.919 0.39 . . . . 10.0 110.711 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.12 -8.7 56.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.709 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.46 ' HB2' ' O ' ' B' ' 55' ' ' THR . 3.3 m-20 -75.74 -25.74 56.82 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.146 0.498 . . . . 10.0 110.401 179.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -107.91 20.31 18.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.877 -0.601 . . . . 10.0 112.216 -178.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.6 t30 66.16 26.94 10.51 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.693 0.62 . . . . 10.0 111.67 178.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.3 mt -82.73 137.54 20.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.253 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -122.24 -164.07 1.13 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.203 -0.453 . . . . 10.0 109.97 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 31.2 pttt -80.6 154.84 27.19 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.715 -0.394 . . . . 10.0 110.641 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 64.07 18.89 11.5 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.667 -0.697 . . . . 10.0 112.207 178.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 32.5 m -86.3 145.35 26.96 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.97 0.414 . . . . 10.0 110.793 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 15.7 m -94.78 133.4 38.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.851 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 mp -118.05 153.45 33.69 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.306 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -108.92 126.52 53.16 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.521 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.7 tp -104.5 106.64 17.21 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.084 0.468 . . . . 10.0 110.608 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 79.1 t -87.98 114.62 26.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.439 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 98.1 mt -84.85 119.78 25.71 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.602 -0.518 . . . . 10.0 109.602 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.457 ' HG3' ' OD1' ' D' ' 491' ' ' ASP . 0.4 OUTLIER -112.75 135.96 52.9 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.934 0.397 . . . . 10.0 111.233 -178.876 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.92 147.97 37.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.955 -0.566 . . . . 10.0 109.647 179.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.496 ' HA ' ' NE ' ' B' ' 74' ' ' ARG . 10.4 mmp_? -107.5 -25.43 11.39 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.751 0.31 . . . . 10.0 111.065 -179.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -138.71 -75.89 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.742 -0.742 . . . . 10.0 111.354 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.184 0 CA-C-O 118.214 -1.326 . . . . 10.0 111.421 179.791 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 453' ' ' SER . . . . . 0.405 ' HB2' ' OG ' ' D' ' 455' ' ' SER . 0.3 OUTLIER . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.691 0.281 . . . . 10.0 111.382 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 40.8 m-20 62.85 17.56 10.04 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 122.743 0.417 . . . . 10.0 111.798 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 455' ' ' SER . . . . . 0.405 ' OG ' ' HB2' ' D' ' 453' ' ' SER . 0.7 OUTLIER -66.9 -39.64 87.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.009 0.433 . . . . 10.0 110.397 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -62.38 -45.12 94.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.648 -0.705 . . . . 10.0 110.219 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 80.4 mt -67.07 -40.0 86.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.374 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -64.51 -40.64 96.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.548 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -66.56 -37.24 84.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.955 0.407 . . . . 10.0 110.337 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 62.9 mtt -68.68 -44.2 74.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.048 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.64 -36.51 83.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.591 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -58.74 -41.98 87.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.418 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -62.24 -41.24 98.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.599 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 72.1 mt -67.94 -41.77 85.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.339 -0.392 . . . . 10.0 110.503 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -64.05 -16.41 61.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.444 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -83.02 -19.36 37.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.012 0.434 . . . . 10.0 110.185 179.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -102.75 -39.22 7.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.756 179.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 468' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -118.36 91.22 40.55 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.879 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -87.86 6.42 5.02 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.616 2.211 . . . . 10.0 113.267 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 12.6 pm0 -107.31 1.61 23.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.594 0.235 . . . . 10.0 111.336 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 471' ' ' VAL . . . . . . . . . . . . . 13.4 p -100.85 131.03 24.01 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.655 -0.248 . . . . 10.0 110.686 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 472' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -57.71 124.92 17.17 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.752 2.302 . . . . 10.0 112.558 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -55.68 -39.26 70.73 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.56 -0.745 . . . . 10.0 112.345 -178.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 51.9 p-80 -63.88 -29.68 70.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.646 0.26 . . . . 10.0 111.069 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 46.0 mt -77.86 -35.54 50.88 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.876 -0.416 . . . . 10.0 109.876 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 26.5 t -63.78 -47.59 90.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.999 -0.546 . . . . 10.0 109.662 178.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 63.3 mt -64.21 -30.7 71.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.796 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -67.74 -47.53 69.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.28 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -68.4 -38.19 81.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.762 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.7 -27.79 52.17 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.862 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -78.87 -27.3 44.03 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.702 0.287 . . . . 10.0 110.972 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -88.58 -48.28 7.69 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.531 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 31.6 p -85.66 -39.68 17.0 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.736 0.273 . . . . 10.0 111.736 -178.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 60.88 28.23 18.01 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.39 0.614 . . . . 10.0 110.436 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 9.6 t -152.41 117.28 5.12 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.56 -0.746 . . . . 10.0 109.908 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 17.6 m -57.78 -32.26 42.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.302 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -61.9 -44.4 96.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.529 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 17.0 mt -75.3 -38.09 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.719 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 37.7 m -59.09 -52.6 65.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.333 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 2.7 m -62.22 -37.58 85.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 10.0 110.726 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 491' ' ' ASP . . . . . 0.457 ' OD1' ' HG3' ' B' ' 72' ' ' ARG . 4.5 t70 -66.63 -43.98 83.22 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 178.559 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -55.52 -36.55 66.85 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.548 -0.751 . . . . 10.0 110.817 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 83.7 mt -66.73 -45.3 88.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.205 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -34.6 77.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.882 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -61.29 -42.99 99.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.18 0.514 . . . . 10.0 110.44 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 123.16 15.61 3.75 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.54 -0.838 . . . . 10.0 112.708 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -73.58 -37.96 65.31 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 3.6 mp -95.74 124.37 48.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.534 -0.757 . . . . 10.0 109.288 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -69.33 127.35 32.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.936 0.398 . . . . 10.0 111.256 -179.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 26.5 m -78.43 157.8 77.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.586 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -46.68 119.61 3.38 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.072 2.514 . . . . 10.0 112.84 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -140.73 136.89 16.74 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.802 -0.635 . . . . 10.0 109.895 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -65.6 116.91 4.19 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.585 2.19 . . . . 10.0 111.733 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.552 -0.737 . . . . 10.0 110.315 -179.798 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 110.18 -0.304 . . . . 10.0 110.18 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 71.8 mm-40 -97.4 143.59 27.98 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.111 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.9 pt -132.64 162.82 39.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.967 -0.753 . . . . 10.0 108.967 178.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -122.69 113.78 19.68 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.873 0.368 . . . . 10.0 111.127 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.8 t -105.05 120.38 55.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.022 -0.536 . . . . 10.0 109.912 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -102.45 134.18 46.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.072 0.463 . . . . 10.0 111.247 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.28 170.45 9.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.708 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.9 mt -68.24 -12.84 61.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.751 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.92 -4.35 58.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.92 0.391 . . . . 10.0 111.347 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.06 34.77 16.99 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.69 -0.767 . . . . 10.0 111.949 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.422 ' HE2' HG12 ' A' ' 13' ' ' ILE . 74.4 tttt -116.02 124.75 51.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.809 0.338 . . . . 10.0 110.415 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.9 m -95.95 114.78 26.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.413 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.422 HG12 ' HE2' ' A' ' 11' ' ' LYS . 20.7 mt -101.98 127.21 55.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.099 -179.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.95 133.95 33.55 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.716 -0.475 . . . . 10.0 109.716 178.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.6 mt -133.66 140.35 47.02 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.91 0.386 . . . . 10.0 111.125 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -97.53 109.19 21.99 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.256 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 m -136.22 -177.34 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.319 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.58 ' O ' HD11 ' A' ' 56' ' ' LEU . 35.5 mm-40 -141.56 156.1 66.72 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 108.941 -0.762 . . . . 10.0 108.941 179.18 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.96 -28.41 68.53 Favored 'Trans proline' 0 CA--C 1.53 0.311 0 C-N-CA 122.42 2.08 . . . . 10.0 112.335 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.2 0.61 44.64 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.495 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -80.31 150.98 29.75 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 120.787 0.327 . . . . 10.0 110.29 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -94.83 144.78 25.37 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.239 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 51.7 mm -55.35 -40.68 58.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 120.976 0.417 . . . . 10.0 110.745 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -57.45 -40.9 79.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.8 -0.636 . . . . 10.0 110.832 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -68.0 -35.36 78.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.012 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.35 -41.43 92.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 178.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -61.2 -40.33 93.54 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.609 178.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.76 -37.05 86.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.556 -0.747 . . . . 10.0 110.495 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -67.04 -36.22 81.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.032 -0.531 . . . . 10.0 109.98 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 85.3 mt -68.11 -38.02 79.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 178.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -66.61 -31.77 72.67 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.761 -0.654 . . . . 10.0 109.714 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -69.09 -39.32 79.08 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 69.6 mttt -81.98 -59.4 2.59 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.496 0.554 . . . . 10.0 112.496 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -79.65 -46.91 16.29 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.263 0.468 . . . . 10.0 112.263 -178.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.32 9.78 26.85 Favored Glycine 0 N--CA 1.454 -0.162 0 C-N-CA 120.474 -0.869 . . . . 10.0 112.349 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.8 mt -88.33 123.6 68.04 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 110.463 -0.199 . . . . 10.0 110.463 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -55.55 142.37 81.47 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.757 2.305 . . . . 10.0 112.404 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -57.44 -27.14 74.78 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.923 2.415 . . . . 10.0 112.853 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -66.4 -25.89 66.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.009 0.433 . . . . 10.0 110.665 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.462 ' HA ' ' HB3' ' A' ' 72' ' ' ARG . 47.0 mt-30 -102.12 11.0 39.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.106 -179.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -104.61 133.77 48.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.23 -0.441 . . . . 10.0 111.386 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.0 mtt180 -132.65 104.77 6.81 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.114 -0.493 . . . . 10.0 109.708 178.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.3 mt -92.92 126.11 37.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.968 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.6 mp -123.74 132.7 70.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.337 179.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.412 ' HB3' HD21 ' A' ' 50' ' ' LEU . 77.8 t80 -133.76 129.27 36.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.965 -0.562 . . . . 10.0 109.541 179.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.55 24.93 13.7 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.661 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.52 7.8 85.76 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.871 -0.68 . . . . 10.0 112.495 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -115.63 133.53 55.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.697 -0.296 . . . . 10.0 110.246 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -77.7 132.08 38.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.276 -0.42 . . . . 10.0 109.953 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.412 HD21 ' HB3' ' A' ' 45' ' ' PHE . 14.9 mt -87.2 142.34 27.98 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.4 -178.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.442 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 18.0 mt-10 -100.42 147.84 25.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.689 -0.687 . . . . 10.0 109.593 178.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -68.07 -20.26 64.94 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.623 0.601 . . . . 10.0 112.623 -178.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.76 4.2 85.84 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.466 -0.874 . . . . 10.0 113.042 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.442 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 22.9 mmt180 -109.63 167.0 10.47 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 122.533 -0.392 . . . . 10.0 110.795 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.5 p -109.93 169.87 8.44 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.542 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.58 HD11 ' O ' ' A' ' 18' ' ' GLU . 63.8 mt -62.91 -34.67 77.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.886 0.374 . . . . 10.0 110.567 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 51.0 m -68.35 -28.24 66.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.871 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -63.52 -26.25 68.62 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.814 0.34 . . . . 10.0 111.297 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -108.89 10.7 26.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.338 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.9 t30 56.99 36.04 27.24 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.461 -0.791 . . . . 10.0 111.22 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 83.7 mt -79.85 115.09 21.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.114 -0.494 . . . . 10.0 109.759 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -99.12 -163.0 1.0 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.655 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -78.26 153.6 31.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.462 -0.335 . . . . 10.0 110.834 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 60.3 24.73 14.18 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.682 -0.69 . . . . 10.0 112.023 178.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.6 m -82.24 145.83 29.82 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.2 m -100.01 122.53 43.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.43 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 mp -117.27 149.12 40.96 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.923 -0.58 . . . . 10.0 109.734 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -109.85 134.32 52.18 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.595 0.236 . . . . 10.0 110.386 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.4 tp -113.52 118.55 34.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.125 0.488 . . . . 10.0 111.472 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.6 t -102.71 139.9 22.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.291 178.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.5 mt -96.4 146.59 24.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.804 0.335 . . . . 10.0 111.132 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.462 ' HB3' ' HA ' ' A' ' 40' ' ' GLN . 51.8 ttt180 -115.47 123.74 49.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.52 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 78.5 mt -98.78 129.31 45.19 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -126.23 19.9 7.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.853 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -130.81 41.11 1.56 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.293 -0.956 . . . . 10.0 112.861 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.261 0 CA-C-O 118.611 -1.105 . . . . 10.0 112.05 179.422 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptt? . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.656 0.265 . . . . 10.0 110.614 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -122.6 144.51 49.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.856 0.36 . . . . 10.0 111.089 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.9 pt -128.13 165.83 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.173 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.422 ' O ' ' HA ' ' B' ' 66' ' ' THR . 89.7 m-85 -119.95 110.35 16.61 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.375 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 46.5 t -91.53 124.3 43.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.518 -0.31 . . . . 10.0 110.199 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -100.61 138.49 37.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.114 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 16.6 p -112.51 173.23 6.47 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.364 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 35.8 mt -76.67 -8.98 58.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.844 0.354 . . . . 10.0 110.814 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 3.9 p -96.48 -18.64 19.71 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.11 0.481 . . . . 10.0 110.861 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.62 -1.36 45.72 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.744 -0.741 . . . . 10.0 111.744 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 44.0 tttp -72.17 116.91 13.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.521 -0.339 . . . . 10.0 110.564 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.8 m -90.79 119.73 31.25 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.002 0.43 . . . . 10.0 110.467 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 84.0 mt -111.62 123.34 67.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.016 0.436 . . . . 10.0 111.478 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.16 136.33 33.52 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.184 -0.462 . . . . 10.0 109.779 178.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 18.9 mt -137.45 138.1 39.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.063 0.459 . . . . 10.0 111.475 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.48 111.24 19.8 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.611 -0.722 . . . . 10.0 109.149 179.03 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 15.8 m -130.16 165.99 28.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.499 -179.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.476 ' O ' HD12 ' B' ' 56' ' ' LEU . 24.9 mm-40 -122.47 158.85 55.04 Favored Pre-proline 0 C--N 1.319 -0.75 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.032 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.53 -26.92 80.55 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 121.91 1.74 . . . . 10.0 111.728 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -94.14 9.83 36.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.265 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -80.2 137.39 36.66 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.766 -0.457 . . . . 10.0 109.766 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.45 146.22 27.06 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.668 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 50.0 mm -56.82 -40.78 73.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.896 0.379 . . . . 10.0 110.552 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -61.07 -35.54 77.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.629 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -69.14 -37.79 78.46 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.29 -39.16 84.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.534 178.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -59.66 -41.31 90.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.191 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.33 -31.15 71.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.657 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -70.29 -38.26 74.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.23 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 63.1 mt -70.05 -37.03 71.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 121.171 0.51 . . . . 10.0 109.788 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.419 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 43.4 tt0 -66.19 -34.75 78.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.042 179.238 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -70.36 -23.64 62.84 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.695 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -89.65 -70.19 0.68 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.123 -0.49 . . . . 10.0 112.112 -179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -83.58 -26.11 30.32 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.496 0.554 . . . . 10.0 112.496 -177.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 94.39 -3.13 68.68 Favored Glycine 0 C--N 1.32 -0.348 0 C-N-CA 120.486 -0.864 . . . . 10.0 112.331 -179.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 75.1 mt -61.99 122.02 69.39 Favored Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 110.57 -0.159 . . . . 10.0 110.57 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -55.75 137.27 77.93 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.84 2.36 . . . . 10.0 112.214 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.71 -20.54 43.23 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.667 2.245 . . . . 10.0 112.484 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -68.25 -35.24 77.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.163 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -90.56 -11.67 39.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.887 -179.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -78.33 95.57 5.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.117 -0.492 . . . . 10.0 112.129 -178.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.477 ' CZ ' HD21 ' D' ' 494' ' ' LEU . 36.0 ttt180 -101.29 100.67 11.21 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.688 -0.856 . . . . 10.0 108.688 177.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 64.9 mt -86.78 130.85 34.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 10.0 111.801 -178.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.4 mp -128.36 141.45 46.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.524 -0.762 . . . . 10.0 110.235 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -136.46 124.65 23.1 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.856 -0.424 . . . . 10.0 109.856 178.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.78 26.41 15.55 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 123.589 0.555 . . . . 10.0 111.744 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.23 1.7 78.43 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.801 -0.714 . . . . 10.0 113.102 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -117.59 136.29 53.38 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.249 -0.278 . . . . 10.0 110.249 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.8 143.3 46.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.594 0.235 . . . . 10.0 110.461 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 47.3 mt -94.66 143.02 26.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.059 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -92.34 139.59 30.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 10.0 109.771 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -64.96 -27.37 68.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.512 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.65 22.77 12.11 Favored Glycine 0 C--O 1.228 -0.231 0 C-N-CA 120.943 -0.646 . . . . 10.0 112.882 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 8.2 mmt-85 -127.61 166.35 18.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.815 0.34 . . . . 10.0 110.491 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 49.0 p -109.21 175.33 5.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.26 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.476 HD12 ' O ' ' B' ' 18' ' ' GLU . 96.5 mt -67.26 -35.29 79.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.893 0.377 . . . . 10.0 110.993 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 49.1 m -70.98 -19.21 62.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.528 -0.305 . . . . 10.0 111.576 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -66.19 -31.21 71.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.848 0.356 . . . . 10.0 110.763 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -107.27 13.79 26.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.05 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 61.41 35.49 17.75 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.333 0.587 . . . . 10.0 110.919 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 66.8 mt -82.63 122.31 37.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.033 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -109.9 -164.42 0.93 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.244 -179.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.35 156.86 32.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.685 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 67.34 13.52 9.39 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.858 0.724 . . . . 10.0 111.836 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 20.2 m -81.68 139.78 34.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.613 0.244 . . . . 10.0 110.368 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 2.0 m -91.98 129.74 37.87 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.378 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mp -109.61 131.91 54.63 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.167 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.568 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 35.9 m80 -88.33 116.9 26.88 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.881 -179.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.4 tp -104.74 98.42 8.17 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.819 -0.438 . . . . 10.0 109.819 178.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 99.1 t -97.94 127.18 50.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.912 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 49.9 mt -86.04 106.56 17.28 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.838 -0.801 . . . . 10.0 108.838 178.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.14 152.74 21.45 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.928 0.394 . . . . 10.0 111.579 -178.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 4.9 mp -136.03 125.29 24.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.264 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -123.4 10.97 9.26 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.2 0.524 . . . . 10.0 110.312 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -162.55 47.62 0.34 Allowed Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.597 -0.728 . . . . 10.0 111.297 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.165 0 CA-C-O 118.528 -1.151 . . . . 10.0 111.407 -179.734 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 120.612 0.244 . . . . 10.0 110.636 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 454' ' ' ASN . . . . . 0.583 ' O ' ' HB2' ' D' ' 458' ' ' ASN . 10.5 t30 65.9 19.71 11.3 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.689 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.07 -59.07 2.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.762 -179.105 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -61.11 -41.35 96.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.122 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 65.1 mt -64.61 -39.28 93.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.748 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 458' ' ' ASN . . . . . 0.583 ' HB2' ' O ' ' D' ' 454' ' ' ASN . 7.4 t-20 -65.01 -42.44 94.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.46 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -58.81 -42.93 90.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.867 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 54.1 mtm -70.6 -39.89 73.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.545 -0.752 . . . . 10.0 110.593 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.6 95.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.762 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -58.18 -41.37 83.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.834 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -64.67 -41.04 96.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.513 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 82.0 mt -65.68 -34.34 69.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.233 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 -63.31 -25.35 68.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.958 0.409 . . . . 10.0 110.819 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -77.28 -26.44 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.18 -0.463 . . . . 10.0 110.079 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 467' ' ' MET . . . . . 0.568 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 62.8 mmm -88.53 -37.29 15.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.47 -0.786 . . . . 10.0 110.184 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 468' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.17 88.99 19.08 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.715 -0.675 . . . . 10.0 109.848 179.151 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -79.98 23.38 0.68 Allowed 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.706 2.271 . . . . 10.0 113.307 -178.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -150.36 52.58 0.89 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.105 0.479 . . . . 10.0 110.553 -179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 471' ' ' VAL . . . . . . . . . . . . . 12.1 p -146.56 134.54 10.6 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.551 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 472' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.77 122.26 11.16 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.316 2.011 . . . . 10.0 112.02 178.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -54.46 -44.01 72.17 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.47 -0.786 . . . . 10.0 112.641 -178.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 49.9 p-80 -64.3 -28.21 69.56 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.718 0.266 . . . . 10.0 111.718 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 23.7 mt -78.04 -30.94 50.12 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.183 -0.303 . . . . 10.0 110.183 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 60.5 t -65.07 -40.81 90.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 109.158 -0.682 . . . . 10.0 109.158 178.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 71.5 mt -63.52 -29.38 70.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.45 -0.796 . . . . 10.0 110.561 178.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -66.12 -49.0 69.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.744 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -66.53 -35.55 80.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.089 0.471 . . . . 10.0 110.092 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.31 -30.75 68.57 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.518 -0.765 . . . . 10.0 111.092 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -87.27 -3.55 59.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.817 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -106.27 -64.57 1.15 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.902 0.382 . . . . 10.0 111.204 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 48.8 p -78.53 -39.0 39.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.868 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 52.1 mtt85 64.15 39.72 7.42 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.711 -0.677 . . . . 10.0 111.342 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 3.1 t -154.99 116.36 4.04 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.494 -0.558 . . . . 10.0 109.494 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 10.7 m -55.93 -33.94 36.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 120.721 0.295 . . . . 10.0 111.535 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -64.94 -54.64 27.44 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.382 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 60.5 mt -66.03 -39.21 83.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.175 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 66.2 m -58.99 -55.04 40.31 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.784 0.29 . . . . 10.0 111.784 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 2.4 m -60.9 -37.37 82.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.738 0.304 . . . . 10.0 111.142 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -68.67 -41.03 79.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.398 0.618 . . . . 10.0 109.979 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -60.77 -43.84 97.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.038 -0.983 . . . . 10.0 110.181 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 77.1 mt -68.31 -36.25 74.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.609 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 494' ' ' LEU . . . . . 0.477 HD21 ' CZ ' ' B' ' 42' ' ' ARG . 0.1 OUTLIER -63.02 -22.63 66.99 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.005 0.431 . . . . 10.0 110.983 179.881 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -91.42 -4.07 56.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.853 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 81.71 29.01 40.53 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.955 -0.64 . . . . 10.0 113.401 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -69.96 -41.69 74.15 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.213 -0.662 . . . . 10.0 109.213 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -92.56 145.95 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 N-CA-C 108.673 -0.862 . . . . 10.0 108.673 178.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -61.93 126.64 28.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.168 0.508 . . . . 10.0 111.485 -179.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 23.1 m -90.78 161.95 34.61 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.007 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.13 102.08 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.357 2.038 . . . . 10.0 112.053 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -116.23 137.36 23.42 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.149 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -63.32 140.61 77.86 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.356 2.037 . . . . 10.0 111.981 179.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 C--O 1.253 1.239 0 CA-C-O 118.207 -0.901 . . . . 10.0 109.553 -179.682 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.503 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 24.4 ptt? . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 109.862 -0.421 . . . . 10.0 109.862 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -94.95 133.93 38.16 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.259 -0.428 . . . . 10.0 112.062 -178.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.0 pt -123.43 163.16 23.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.211 -0.663 . . . . 10.0 109.211 178.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.572 ' O ' ' HA ' ' A' ' 66' ' ' THR . 86.9 m-85 -120.05 112.34 19.02 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.648 0.261 . . . . 10.0 110.782 -179.277 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.0 t -98.88 121.24 49.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -104.24 134.36 47.6 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.233 0.54 . . . . 10.0 111.354 -178.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.0 p -103.37 166.94 10.13 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.493 -0.776 . . . . 10.0 110.199 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.9 mt -67.89 -17.84 64.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.13 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.03 -2.31 51.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.348 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.98 16.36 61.29 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.784 -0.722 . . . . 10.0 112.792 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -100.35 139.14 36.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.734 0.302 . . . . 10.0 110.74 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 m -113.04 121.42 44.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.091 -0.504 . . . . 10.0 109.831 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.4 mt -105.71 128.65 59.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.95 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.83 117.96 30.8 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.606 -0.516 . . . . 10.0 109.606 178.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.6 mt -117.28 150.95 37.94 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.996 0.427 . . . . 10.0 111.883 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -99.84 111.65 23.96 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.413 -0.812 . . . . 10.0 109.097 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.503 ' O ' ' HG2' ' A' ' 1' ' ' MET . 14.1 m -139.38 167.57 19.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.112 -179.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.461 ' O ' HD11 ' A' ' 56' ' ' LEU . 19.6 mm-40 -127.63 157.99 71.46 Favored Pre-proline 0 C--N 1.318 -0.801 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.91 -27.37 34.9 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 122.698 2.266 . . . . 10.0 113.403 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.84 2.85 47.65 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.994 0.368 . . . . 10.0 111.994 -179.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -79.42 154.78 28.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.648 0.261 . . . . 10.0 110.93 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.474 ' O ' HG22 ' A' ' 26' ' ' VAL . 1.1 p -101.06 149.37 24.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.069 -179.416 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.6 mm -56.65 -43.35 78.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.166 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.82 -33.24 74.8 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.778 0.323 . . . . 10.0 110.71 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -71.83 -39.21 69.92 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.568 -0.531 . . . . 10.0 109.568 179.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 22' ' ' THR . 75.8 t -62.03 -42.98 96.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.806 -0.633 . . . . 10.0 109.836 178.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -62.8 -36.07 81.94 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.18 0.514 . . . . 10.0 110.104 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.39 -35.83 82.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.098 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.85 -30.6 71.24 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 109.587 -0.523 . . . . 10.0 109.587 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.4 mt -69.72 -32.42 52.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 108.585 -0.894 . . . . 10.0 108.585 177.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -71.59 -28.84 64.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.353 -0.84 . . . . 10.0 109.408 178.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -71.8 -30.34 65.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.465 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.5 mmtt -93.96 -57.94 2.39 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.72 0.637 . . . . 10.0 112.72 -178.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -92.25 -29.67 16.29 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.736 0.643 . . . . 10.0 112.736 -177.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.17 54.86 3.92 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.387 -0.911 . . . . 10.0 112.087 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.5 mt -118.02 131.65 24.07 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 109.835 -0.431 . . . . 10.0 109.835 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.61 123.46 13.4 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.846 2.364 . . . . 10.0 112.756 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -57.23 -25.04 62.59 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.992 2.461 . . . . 10.0 113.362 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -62.79 -39.37 94.03 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.929 0.395 . . . . 10.0 111.416 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.462 ' O ' ' HA ' ' A' ' 71' ' ' LEU . 64.8 mt-30 -90.34 1.21 56.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.123 -178.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -89.08 107.58 19.12 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.724 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -112.75 105.21 13.3 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.314 -0.624 . . . . 10.0 109.314 178.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.0 mt -89.6 136.53 32.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.305 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 58.2 mt -129.5 131.16 67.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.694 -0.684 . . . . 10.0 109.726 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -129.36 119.54 24.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.66 -0.245 . . . . 10.0 110.409 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.63 31.85 21.54 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.158 -0.473 . . . . 10.0 111.334 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.99 -7.96 75.37 Favored Glycine 0 C--O 1.229 -0.165 0 C-N-CA 120.794 -0.717 . . . . 10.0 112.412 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -95.55 129.65 42.66 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.281 -0.266 . . . . 10.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -76.68 131.37 38.77 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.718 -0.475 . . . . 10.0 109.718 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.5 mt -90.4 122.79 33.58 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.843 0.354 . . . . 10.0 110.872 -179.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.416 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 40.0 mt-10 -84.54 153.45 23.26 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.041 -0.527 . . . . 10.0 109.82 179.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.52 -44.56 93.88 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.348 0.499 . . . . 10.0 112.348 -178.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.63 43.36 3.05 Favored Glycine 0 CA--C 1.518 0.235 0 C-N-CA 120.98 -0.628 . . . . 10.0 113.563 -178.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.416 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 21.5 mmt180 -132.63 160.3 37.06 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.116 -0.327 . . . . 10.0 110.116 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.463 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 79.1 p -105.73 173.38 6.33 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.876 -0.416 . . . . 10.0 109.876 178.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.461 HD11 ' O ' ' A' ' 18' ' ' GLU . 29.5 mt -69.5 -30.1 67.89 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.247 0.546 . . . . 10.0 109.82 178.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.0 m -73.38 -22.15 60.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.615 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.463 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.1 m-20 -60.92 -37.65 83.02 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.874 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -105.11 11.26 33.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.734 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 57.9 t30 57.63 42.19 24.36 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.34 0.591 . . . . 10.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 92.4 mt -81.18 132.26 31.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.447 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -121.02 -163.52 1.04 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.609 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.449 ' HE3' ' OE2' ' A' ' 64' ' ' GLU . 58.6 pttt -73.51 155.03 39.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.616 0.246 . . . . 10.0 110.622 179.341 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.449 ' OE2' ' HE3' ' A' ' 63' ' ' LYS . 36.1 mt-10 67.17 8.72 6.4 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.719 -0.673 . . . . 10.0 112.277 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.9 m -70.64 127.84 34.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.771 0.319 . . . . 10.0 110.591 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.572 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 83.8 m -93.94 110.86 22.51 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.841 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mp -99.6 142.05 31.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.553 -0.749 . . . . 10.0 109.827 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -100.81 127.11 47.39 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 110.14 -0.319 . . . . 10.0 110.14 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.5 tp -107.33 114.71 28.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.027 0.442 . . . . 10.0 110.711 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 39.5 t -112.26 134.41 54.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.853 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.462 ' HA ' ' O ' ' A' ' 40' ' ' GLN . 72.4 mt -101.52 140.16 36.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.847 0.356 . . . . 10.0 110.493 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.419 ' NH2' ' HA ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -107.36 125.12 50.8 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.752 -179.636 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.9 mt -90.57 127.0 36.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.778 0.323 . . . . 10.0 110.402 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.419 ' HA ' ' NH2' ' A' ' 72' ' ' ARG . 34.2 ttm-85 -103.25 119.47 38.92 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.394 -179.43 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.26 43.4 79.78 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.891 -0.671 . . . . 10.0 112.503 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.067 -1.407 . . . . 10.0 111.052 179.857 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.422 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 25.6 ptt? . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 109.931 -0.396 . . . . 10.0 109.931 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -104.17 137.8 41.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.751 0.31 . . . . 10.0 111.333 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 20.9 pt -122.57 160.06 25.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.707 -0.479 . . . . 10.0 109.707 178.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -119.24 109.18 15.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.951 0.405 . . . . 10.0 111.215 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 52.3 t -93.77 120.73 43.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.159 -0.473 . . . . 10.0 109.806 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -103.19 125.35 49.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.091 0.472 . . . . 10.0 111.195 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -98.16 158.22 15.68 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.891 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 80.2 mt -59.91 -14.83 17.36 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 122.692 0.397 . . . . 10.0 112.001 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.5 p -84.44 -3.6 58.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.264 -0.425 . . . . 10.0 111.707 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.3 19.42 57.1 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 10.0 111.364 -179.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -102.16 129.76 48.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.646 -0.277 . . . . 10.0 110.336 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -113.63 112.79 24.09 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.874 -0.417 . . . . 10.0 109.874 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 8.7 mt -102.67 142.33 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.606 -178.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.0 137.96 37.73 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.112 178.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 67.5 mt -138.87 131.56 29.06 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.672 -0.24 . . . . 10.0 111.016 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -82.62 114.98 21.37 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.056 -0.72 . . . . 10.0 109.056 178.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.422 ' O ' ' HG2' ' B' ' 1' ' ' MET . 16.5 m -134.58 171.13 18.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.855 -0.612 . . . . 10.0 110.448 -179.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.463 ' O ' HD12 ' B' ' 56' ' ' LEU . 15.4 mm-40 -133.09 159.79 71.25 Favored Pre-proline 0 C--N 1.32 -0.694 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 179.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.79 -27.73 54.05 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.412 2.075 . . . . 10.0 112.594 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.35 -2.06 57.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.137 -0.483 . . . . 10.0 112.133 -179.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -76.01 146.13 39.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.742 0.306 . . . . 10.0 110.306 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.453 ' O ' HG21 ' B' ' 26' ' ' VAL . 0.1 OUTLIER -98.23 149.79 22.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.009 -179.301 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 51.8 mm -57.48 -36.94 55.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.037 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -62.47 -41.65 98.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.386 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.409 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 62.4 t30 -69.21 -37.27 77.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.826 0.346 . . . . 10.0 110.523 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.453 HG21 ' O ' ' B' ' 22' ' ' THR . 88.8 t -59.83 -41.38 85.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.213 -0.449 . . . . 10.0 109.855 179.004 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.468 ' HZ3' ' CG ' ' B' ' 52' ' ' ASP . 42.3 mtmt -66.76 -33.45 75.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.594 179.274 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.22 -31.14 72.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.074 0.464 . . . . 10.0 110.111 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 91.3 mttt -69.2 -38.04 78.42 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.891 179.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 49.2 mt -71.64 -28.16 30.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 178.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.504 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 33.4 tt0 -74.16 -22.57 59.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.628 178.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -80.85 -46.57 15.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.034 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -74.48 -65.69 0.83 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.804 -0.635 . . . . 10.0 111.631 -179.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -81.04 -54.26 5.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.154 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.504 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 105.8 44.83 1.36 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.481 -0.866 . . . . 10.0 112.338 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.8 mt -105.39 123.68 38.8 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 109.969 -0.382 . . . . 10.0 109.969 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.46 140.96 74.14 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.579 2.186 . . . . 10.0 112.164 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.76 -21.01 45.89 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.892 2.394 . . . . 10.0 112.869 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.56 -32.01 62.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.588 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.486 ' HA ' ' HG2' ' B' ' 72' ' ' ARG . 68.5 mt-30 -91.98 -19.31 22.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.083 0.468 . . . . 10.0 110.442 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -79.12 97.97 6.37 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.453 -0.794 . . . . 10.0 111.606 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -103.46 99.22 9.04 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.37 -0.604 . . . . 10.0 109.37 178.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 70.4 mt -82.49 126.42 32.23 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.168 0.508 . . . . 10.0 111.186 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.447 HG12 ' CZ ' ' D' ' 468' ' ' PHE . 1.4 mp -122.97 147.4 27.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.43 -0.804 . . . . 10.0 109.531 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -140.53 118.53 11.87 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.904 -0.406 . . . . 10.0 109.904 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.89 21.52 11.72 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.898 179.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.56 18.33 38.75 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.582 -0.818 . . . . 10.0 113.059 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -132.37 163.1 29.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.477 -0.426 . . . . 10.0 110.136 179.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.71 146.33 25.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.974 0.416 . . . . 10.0 111.259 -179.176 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 61.4 mt -95.35 123.22 38.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.903 -0.589 . . . . 10.0 109.687 178.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -71.77 127.51 32.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.864 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.468 ' CG ' ' HZ3' ' B' ' 27' ' ' LYS . 0.8 OUTLIER -60.65 -33.28 72.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.366 -179.748 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.12 33.2 4.58 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.183 -0.532 . . . . 10.0 112.66 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 77.5 mmt-85 -135.36 170.78 15.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.948 0.404 . . . . 10.0 110.403 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 40.2 p -108.86 175.08 5.59 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.958 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.463 HD12 ' O ' ' B' ' 18' ' ' GLU . 47.9 mt -70.48 -28.06 64.7 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.537 179.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 15.5 m -67.73 -27.63 66.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.822 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -59.07 -42.93 91.54 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.141 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -98.0 10.05 41.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.803 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 52.3 t30 56.67 40.07 29.43 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.458 -0.792 . . . . 10.0 111.692 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 90.3 mt -74.26 116.86 17.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -103.89 -170.84 1.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.504 -178.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 48.6 pttt -70.9 146.87 49.31 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.737 -0.665 . . . . 10.0 110.778 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 59.98 34.58 21.52 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.672 -0.694 . . . . 10.0 112.297 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 22.3 m -95.66 142.05 28.42 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.22 -0.289 . . . . 10.0 110.22 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 29.4 m -88.26 119.94 29.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.935 0.398 . . . . 10.0 111.255 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -102.23 135.53 43.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.415 178.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -89.65 129.8 36.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.779 0.323 . . . . 10.0 110.427 -179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 49.7 tp -116.97 110.86 18.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.932 0.396 . . . . 10.0 110.388 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 74.2 t -99.64 132.51 44.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.801 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 30.2 mt -87.03 133.06 33.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.086 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.563 ' HB2' ' OD1' ' D' ' 491' ' ' ASP . 0.0 OUTLIER -114.77 147.53 39.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.979 0.419 . . . . 10.0 110.556 179.657 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.422 HD11 ' CG1' ' D' ' 488' ' ' ILE . 31.3 mt -119.62 -164.57 1.08 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.345 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -108.65 93.08 4.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.988 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 153.95 39.79 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.833 -0.699 . . . . 10.0 112.108 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . 0.439 ' HA2' ' NH2' ' D' ' 497' ' ' ARG . . . . . . . . 0 C--O 1.251 1.181 0 CA-C-O 118.196 -1.335 . . . . 10.0 111.562 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 453' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' D' ' 454' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 120.329 0.109 . . . . 10.0 110.847 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 454' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' D' ' 453' ' ' SER . 6.8 m-20 67.82 27.3 7.43 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.532 0.52 . . . . 10.0 111.298 179.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.88 -43.86 97.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.803 0.335 . . . . 10.0 111.365 -179.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -67.56 -41.32 84.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.049 0.452 . . . . 10.0 110.514 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 71.8 mt -66.96 -37.02 83.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.883 -0.599 . . . . 10.0 109.937 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -63.33 -37.65 88.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.487 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.71 94.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.754 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 48.2 mtm -73.67 -44.61 56.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.585 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.46 -35.99 79.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.76 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -57.27 -40.58 78.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.674 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -72.1 -35.8 69.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.064 0.459 . . . . 10.0 110.503 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 93.6 mt -68.94 -34.57 64.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.484 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -62.01 -29.2 70.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.372 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -73.38 -36.37 66.07 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.535 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 22.9 mmt -71.19 -42.02 69.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.615 -179.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 468' ' ' PHE . . . . . 0.447 ' CZ ' HG12 ' B' ' 44' ' ' ILE . 16.2 m-85 -123.19 83.2 51.61 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.387 179.24 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -75.84 45.24 1.45 Allowed 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 122.464 2.109 . . . . 10.0 112.986 -179.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -157.24 23.21 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.36 . . . . 10.0 111.239 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 471' ' ' VAL . . . . . 0.439 HG13 ' O ' ' D' ' 468' ' ' PHE . 7.3 p -120.48 132.02 24.27 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 110.039 -0.356 . . . . 10.0 110.039 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 472' ' ' PRO . . . . . 0.444 ' HD3' ' HG3' ' D' ' 501' ' ' PRO . 49.5 Cg_exo -57.2 122.97 12.73 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.565 2.176 . . . . 10.0 112.302 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -55.36 -38.46 68.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.439 -0.8 . . . . 10.0 112.075 -178.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 31.3 p-80 -65.54 -24.82 67.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.746 0.308 . . . . 10.0 111.072 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 33.4 mt -83.22 -32.52 26.45 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.583 -0.525 . . . . 10.0 109.583 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 40.6 t -66.98 -45.31 87.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 109.343 -0.614 . . . . 10.0 109.343 178.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 46.8 mt -63.51 -25.26 68.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.567 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -63.82 -55.66 21.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.357 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -68.65 -29.28 67.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.798 0.332 . . . . 10.0 110.511 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.11 -23.07 66.32 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.156 178.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -92.59 -17.91 23.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.064 -0.517 . . . . 10.0 109.93 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -88.72 -59.16 2.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.202 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 67.1 p -90.46 -42.31 10.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.641 -178.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 64.48 41.02 5.86 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.453 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 12.3 t -154.49 124.68 6.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.665 -179.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 34.4 m -66.58 -24.64 33.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.904 0.383 . . . . 10.0 111.246 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -78.9 -5.23 53.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.079 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 488' ' ' ILE . . . . . 0.422 ' CG1' HD11 ' B' ' 73' ' ' LEU . 53.4 mt -116.65 -44.75 3.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 110.083 -0.34 . . . . 10.0 110.083 179.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 86.9 m -58.0 -67.19 0.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.039 -0.528 . . . . 10.0 112.004 -178.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -55.61 -37.63 68.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.995 0.426 . . . . 10.0 111.67 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 491' ' ' ASP . . . . . 0.563 ' OD1' ' HB2' ' B' ' 72' ' ' ARG . 24.0 t70 -68.64 -55.52 11.22 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.918 -179.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.34 -31.5 69.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.629 -179.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 75.6 mt -64.82 -41.84 93.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 109.33 -0.618 . . . . 10.0 109.33 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.39 -39.55 91.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.476 -0.784 . . . . 10.0 110.886 179.392 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -74.3 -50.16 20.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.791 -0.641 . . . . 10.0 111.232 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 136.45 84.56 0.16 Allowed Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.86 -0.686 . . . . 10.0 111.951 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 497' ' ' ARG . . . . . 0.439 ' NH2' ' HA2' ' B' ' 76' ' ' GLY . 2.2 tpp180 -133.18 -48.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.932 0.396 . . . . 10.0 110.261 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 498' ' ' ILE . . . . . 0.407 HD11 ' HB3' ' D' ' 497' ' ' ARG . 3.8 mp -95.87 143.82 11.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -59.58 143.97 48.85 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.944 0.402 . . . . 10.0 111.018 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 20.5 m -95.78 165.33 16.76 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.556 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 501' ' ' PRO . . . . . 0.444 ' HG3' ' HD3' ' D' ' 472' ' ' PRO . 12.0 Cg_exo -71.14 67.68 2.55 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.756 2.304 . . . . 10.0 112.297 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -78.42 123.61 85.68 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.332 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -68.73 101.72 0.8 Allowed 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.587 2.191 . . . . 10.0 111.966 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 6.6 t . . . . . 0 C--O 1.252 1.192 0 CA-C-O 118.099 -0.953 . . . . 10.0 110.085 -179.939 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.482 1.15 0 N-CA-C 109.818 -0.438 . . . . 10.0 109.818 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -105.86 135.36 47.43 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.941 0.401 . . . . 10.0 111.25 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.4 pt -115.73 162.71 13.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.817 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.454 ' O ' ' HA ' ' A' ' 66' ' ' THR . 55.6 m-85 -117.75 109.5 16.68 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.894 0.378 . . . . 10.0 110.678 -179.345 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 37.2 t -96.84 113.32 30.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.158 -0.474 . . . . 10.0 109.894 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.9 tttp -96.77 125.95 41.58 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.901 0.382 . . . . 10.0 111.178 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.41 157.34 15.95 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.624 178.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 38.6 mt -60.84 -16.65 43.55 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.928 0.394 . . . . 10.0 111.808 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.13 -13.22 60.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.351 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.39 9.54 55.11 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.969 -0.634 . . . . 10.0 111.658 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.44 ' HZ3' ' CD ' ' A' ' 34' ' ' GLU . 84.8 tttt -97.74 131.99 43.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.658 0.266 . . . . 10.0 110.409 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.1 m -112.05 114.26 27.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.225 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.6 mt -94.45 144.09 10.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.935 -178.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -111.88 118.24 34.96 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.754 -0.462 . . . . 10.0 109.754 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.2 mt -120.93 150.3 41.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.782 0.325 . . . . 10.0 111.529 -178.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -95.66 115.34 27.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.771 -0.65 . . . . 10.0 109.481 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.2 m -140.74 179.43 2.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.148 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.49 ' O ' HD11 ' A' ' 56' ' ' LEU . 6.2 mm-40 -140.84 155.71 69.0 Favored Pre-proline 0 C--N 1.32 -0.698 0 N-CA-C 108.095 -1.076 . . . . 10.0 108.095 178.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -50.9 -30.71 31.2 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.501 2.134 . . . . 10.0 113.366 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.73 0.73 25.63 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.55 0.574 . . . . 10.0 112.55 -179.11 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -83.3 152.05 25.3 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.748 0.309 . . . . 10.0 110.394 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.446 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -99.07 150.48 21.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.871 -179.54 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.1 mm -58.4 -34.69 51.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.021 0.438 . . . . 10.0 110.613 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -59.83 -44.38 94.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.467 178.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -68.28 -37.93 81.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.327 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 22' ' ' THR . 60.5 t -62.24 -42.34 94.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.255 -0.429 . . . . 10.0 109.873 179.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -63.84 -36.61 84.46 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.068 -0.515 . . . . 10.0 109.955 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.23 -36.44 83.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.975 178.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -65.25 -36.95 85.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.035 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.7 mt -69.63 -37.93 75.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.248 -0.649 . . . . 10.0 109.248 178.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -66.33 -35.08 79.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.49 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -68.85 -33.32 73.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.809 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -92.21 -62.34 1.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.385 0.513 . . . . 10.0 112.385 -179.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.44 ' CD ' ' HZ3' ' A' ' 11' ' ' LYS . 17.5 mm-40 -69.62 -46.52 66.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.745 0.307 . . . . 10.0 111.09 -178.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.01 -3.19 31.62 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.553 -0.832 . . . . 10.0 112.345 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 34.4 mt -78.66 126.27 82.94 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 110.557 -0.164 . . . . 10.0 110.557 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -59.74 143.82 99.56 Favored 'Trans proline' 0 CA--C 1.529 0.265 0 C-N-CA 122.492 2.128 . . . . 10.0 112.137 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -68.17 -8.51 23.03 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.963 2.442 . . . . 10.0 113.417 -178.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -72.18 -38.91 68.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.073 0.464 . . . . 10.0 111.008 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -90.29 -11.23 41.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.357 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -74.3 111.11 9.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.44 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 42' ' ' ARG . 10.2 mmt85 -112.27 99.01 7.69 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.1 mt -89.01 127.59 35.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.881 -0.599 . . . . 10.0 111.396 -179.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mp -126.96 134.54 65.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.698 -0.683 . . . . 10.0 109.328 179.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -115.03 98.19 6.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.577 0.227 . . . . 10.0 110.723 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.44 55.35 7.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.737 -0.665 . . . . 10.0 112.465 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.35 12.18 84.81 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.908 -0.663 . . . . 10.0 113.477 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -123.22 111.22 16.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.757 0.278 . . . . 10.0 110.489 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -65.53 130.08 42.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.363 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.6 mt -93.9 135.49 35.18 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.802 0.334 . . . . 10.0 110.858 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -100.56 152.33 20.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.168 179.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.95 -45.96 89.19 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.517 0.562 . . . . 10.0 112.517 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.28 27.0 2.46 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 121.028 -0.606 . . . . 10.0 114.392 -178.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.403 ' HG3' ' OH ' ' A' ' 59' ' ' TYR . 22.8 mmt180 -120.54 153.76 36.28 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.217 0.509 . . . . 10.0 110.383 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.1 p -99.08 165.96 11.48 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.652 -0.499 . . . . 10.0 109.652 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.49 HD11 ' O ' ' A' ' 18' ' ' GLU . 97.4 mt -64.18 -32.36 73.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.027 0.441 . . . . 10.0 110.01 179.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.86 -22.25 64.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.17 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -70.0 -22.23 63.15 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.352 -0.386 . . . . 10.0 111.434 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.403 ' OH ' ' HG3' ' A' ' 54' ' ' ARG . 90.1 m-85 -113.94 11.45 17.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.63 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 61.5 30.98 19.03 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.387 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 85.9 mt -77.75 111.71 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.378 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -103.88 -165.23 1.13 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.855 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -71.25 150.3 45.38 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.928 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 64.49 17.74 10.99 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.625 -0.716 . . . . 10.0 112.535 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.6 m -79.96 141.35 36.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.688 0.28 . . . . 10.0 110.662 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 1.9 m -98.79 127.16 44.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.119 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -111.24 144.2 40.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.904 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -98.99 125.58 44.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.64 -0.254 . . . . 10.0 110.583 -179.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.4 tp -108.17 109.24 20.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.14 0.495 . . . . 10.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 28.4 t -107.71 146.5 13.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.643 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.5 mt -113.72 137.88 51.0 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.241 -0.281 . . . . 10.0 110.241 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.56 139.32 36.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.697 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.7 mt -98.06 174.2 6.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.426 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 38.6 mtm180 -116.1 -93.03 0.5 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.829 0.347 . . . . 10.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -94.09 95.01 1.88 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.786 -0.721 . . . . 10.0 112.343 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.551 ' C ' ' HZ2' ' B' ' 48' ' ' LYS . . . . . . . . 0 C--O 1.247 0.939 0 CA-C-O 117.976 -1.458 . . . . 10.0 110.874 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.4 ptt? . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 110.176 -0.305 . . . . 10.0 110.176 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -103.89 145.08 30.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.881 0.372 . . . . 10.0 111.25 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 18.3 pt -132.2 158.99 43.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.058 -0.519 . . . . 10.0 109.675 178.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -119.06 103.49 9.6 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.711 0.291 . . . . 10.0 110.422 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 37.0 t -93.0 120.34 42.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.162 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -99.92 151.7 21.01 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.781 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 12.4 p -127.3 160.97 29.71 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.361 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 25.2 mt -62.7 -23.11 66.98 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.086 0.469 . . . . 10.0 110.906 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.41 -14.79 60.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.409 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.95 18.1 45.04 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.938 -0.649 . . . . 10.0 112.116 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -101.01 133.31 45.7 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.68 0.276 . . . . 10.0 110.552 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 21.8 m -101.32 119.51 38.87 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.228 -0.442 . . . . 10.0 109.912 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 26.1 mt -101.95 123.14 54.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.794 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.78 126.37 47.34 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.888 -0.597 . . . . 10.0 109.844 178.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.9 mt -136.83 151.23 48.9 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.005 0.431 . . . . 10.0 111.485 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -87.78 116.39 25.9 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.479 -0.782 . . . . 10.0 110.286 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 18.7 m -138.91 167.71 20.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.065 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.541 ' O ' HD12 ' B' ' 56' ' ' LEU . 10.3 mm-40 -139.07 158.88 68.74 Favored Pre-proline 0 C--N 1.32 -0.712 0 N-CA-C 108.927 -0.768 . . . . 10.0 108.927 179.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.29 -25.53 30.97 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.521 2.147 . . . . 10.0 113.287 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -87.01 1.14 53.82 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.249 0.462 . . . . 10.0 112.249 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -76.71 157.2 31.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.805 0.336 . . . . 10.0 110.405 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.441 ' O ' HG21 ' B' ' 26' ' ' VAL . 0.2 OUTLIER -104.48 144.41 31.71 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.635 -179.15 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.2 mm -56.31 -41.42 70.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-O 120.791 0.329 . . . . 10.0 110.689 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -60.85 -41.98 96.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.171 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -66.01 -38.12 87.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.376 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.441 HG21 ' O ' ' B' ' 22' ' ' THR . 94.8 t -59.34 -44.26 91.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -63.61 -35.22 79.81 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.308 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.36 -34.0 77.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.127 0.489 . . . . 10.0 109.926 178.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -69.91 -36.17 75.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.775 -0.648 . . . . 10.0 109.844 178.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 69.1 mt -70.2 -33.2 53.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.461 -0.57 . . . . 10.0 109.461 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -67.83 -23.59 65.19 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.57 -0.741 . . . . 10.0 110.303 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -73.38 -44.73 57.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.496 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -80.69 -53.13 6.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.809 -0.632 . . . . 10.0 112.103 -178.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -80.03 -60.69 2.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.622 0.248 . . . . 10.0 111.318 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.91 -5.47 13.84 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.474 -0.87 . . . . 10.0 112.402 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.2 mt -76.81 126.94 85.14 Favored Pre-proline 0 C--N 1.329 -0.314 0 N-CA-C 110.3 -0.259 . . . . 10.0 110.3 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.12 138.05 78.01 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.851 2.367 . . . . 10.0 112.387 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.58 -24.71 46.22 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.228 2.619 . . . . 10.0 113.093 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.05 -29.82 70.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.124 0.488 . . . . 10.0 111.02 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -100.76 5.64 43.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.037 -0.528 . . . . 10.0 110.953 -179.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -96.06 115.28 27.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.664 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.474 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 34.5 mtp180 -109.61 105.08 14.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.107 179.273 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 28.5 mt -90.57 123.33 34.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.008 0.432 . . . . 10.0 111.183 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -118.74 132.67 67.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.31 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -121.25 112.92 19.22 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.914 -0.585 . . . . 10.0 109.699 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.35 22.81 8.21 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.716 -0.674 . . . . 10.0 112.641 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.61 0.59 43.07 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.594 -0.812 . . . . 10.0 113.792 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.551 ' HZ2' ' C ' ' A' ' 76' ' ' GLY . 0.6 OUTLIER -117.99 146.36 44.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 117.145 0.472 . . . . 10.0 110.401 179.742 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.425 HE21 ' HB3' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -84.08 142.56 30.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.94 0.4 . . . . 10.0 110.941 -179.527 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 30.8 mt -95.48 123.91 39.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.081 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.448 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 15.6 mt-10 -76.73 142.37 40.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.31 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.13 -54.33 21.41 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.951 0.723 . . . . 10.0 112.951 -178.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.59 51.38 4.4 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.001 -0.618 . . . . 10.0 113.99 -178.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.448 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 31.4 mmt180 -135.86 158.08 45.29 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.978 -0.379 . . . . 10.0 109.978 179.309 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.444 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 23.5 p -101.59 163.12 12.42 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.541 HD12 ' O ' ' B' ' 18' ' ' GLU . 90.4 mt -64.43 -29.93 70.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.008 0.432 . . . . 10.0 110.663 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 5.1 p -75.26 -16.45 60.45 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.877 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' B' ' 55' ' ' THR . 17.2 m-20 -68.71 -28.02 66.47 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.145 0.498 . . . . 10.0 110.612 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -108.45 16.15 23.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.601 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 57.63 33.81 23.71 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.537 -0.756 . . . . 10.0 112.161 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 76.2 mt -76.18 115.63 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 N-CA-C 109.581 -0.526 . . . . 10.0 109.581 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -101.18 -173.86 2.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.461 -178.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 44.1 pttt -66.43 137.63 56.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.658 -0.701 . . . . 10.0 111.131 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 61.91 65.01 0.94 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.915 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.0 m -119.41 146.78 45.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.563 -0.744 . . . . 10.0 110.453 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 92.5 m -91.02 127.9 36.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.979 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -119.26 137.61 53.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.474 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 28.4 m80 -102.28 120.83 41.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.875 0.369 . . . . 10.0 110.837 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 55.2 tp -102.02 97.62 7.93 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.891 -0.411 . . . . 10.0 109.891 179.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.474 ' HB ' ' HB2' ' B' ' 42' ' ' ARG . 70.1 t -76.57 119.47 24.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.278 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 27.6 mt -78.21 130.91 36.86 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.249 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.87 147.62 49.41 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 1.8 pp -131.11 162.37 30.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.749 0.309 . . . . 10.0 110.553 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 17.6 ptt180 -115.42 -29.09 6.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.364 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 118.0 44.89 0.52 Allowed Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.621 -0.718 . . . . 10.0 111.525 -179.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 119.205 -0.775 . . . . 10.0 111.214 -179.634 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 120.435 0.16 . . . . 10.0 110.682 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 68.55 13.53 8.96 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 122.984 0.513 . . . . 10.0 111.892 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.98 -51.99 65.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.978 0.418 . . . . 10.0 111.048 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 456' ' ' GLN . . . . . 0.468 ' O ' ' HB2' ' D' ' 460' ' ' MET . 69.8 mm-40 -66.77 -34.61 78.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.969 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.1 -49.02 66.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.788 0.327 . . . . 10.0 110.417 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -63.72 -42.88 97.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.561 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.79 -41.35 97.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.892 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 460' ' ' MET . . . . . 0.468 ' HB2' ' O ' ' D' ' 456' ' ' GLN . 9.5 ttm -64.76 -40.5 95.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.185 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -66.85 -30.17 70.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.865 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 53.3 t60 -60.94 -34.74 75.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.901 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -66.39 -38.62 87.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.847 179.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 57.5 mt -72.51 -35.4 51.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.706 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 41.8 tp60 -60.23 -31.17 69.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.05 0.453 . . . . 10.0 110.74 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -80.57 -23.8 39.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.805 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 87.6 mmm -87.94 -33.79 18.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.832 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 468' ' ' PHE . . . . . 0.437 ' O ' HG13 ' D' ' 471' ' ' VAL . 0.1 OUTLIER -123.96 81.79 56.26 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.869 179.548 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -76.69 44.06 1.35 Allowed 'Trans proline' 0 CA--C 1.529 0.24 0 C-N-CA 123.134 2.556 . . . . 10.0 113.039 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -156.68 24.98 0.33 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.831 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 471' ' ' VAL . . . . . 0.437 HG13 ' O ' ' D' ' 468' ' ' PHE . 12.0 p -128.81 134.54 26.42 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.476 -0.329 . . . . 10.0 110.459 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 472' ' ' PRO . . . . . 0.458 ' HG2' HD11 ' D' ' 475' ' ' LEU . 32.4 Cg_exo -61.37 127.25 21.39 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.719 2.279 . . . . 10.0 112.09 179.179 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -52.71 -45.0 66.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.611 -0.722 . . . . 10.0 112.559 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 31.5 p-80 -62.92 -31.73 72.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.631 0.253 . . . . 10.0 111.572 -178.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 475' ' ' LEU . . . . . 0.458 HD11 ' HG2' ' D' ' 472' ' ' PRO . 13.2 mt -74.8 -31.6 61.76 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.857 -0.337 . . . . 10.0 110.191 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 476' ' ' VAL . . . . . 0.433 HG23 ' O ' ' D' ' 472' ' ' PRO . 35.5 t -67.92 -41.3 84.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 108.673 -0.862 . . . . 10.0 108.673 178.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.22 -28.7 70.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.342 -0.845 . . . . 10.0 110.445 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -62.53 -57.68 10.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.422 179.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -64.87 -34.55 78.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.511 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.11 -28.9 66.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.146 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -85.7 -9.33 57.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.145 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -105.92 -51.9 2.9 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.779 0.289 . . . . 10.0 111.779 -179.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 69.5 p -89.22 -37.2 15.16 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.598 0.222 . . . . 10.0 111.598 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 63.82 33.42 12.73 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.131 -0.486 . . . . 10.0 112.006 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 485' ' ' SER . . . . . 0.464 ' OG ' HG13 ' D' ' 488' ' ' ILE . 1.1 t -147.17 132.0 18.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.522 -0.308 . . . . 10.0 110.171 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 18.5 m -63.7 -36.21 75.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.23 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -66.16 -47.05 75.25 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.837 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 488' ' ' ILE . . . . . 0.464 HG13 ' OG ' ' D' ' 485' ' ' SER . 14.5 mt -69.03 -43.31 82.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 121.045 -0.262 . . . . 10.0 111.478 -179.259 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 489' ' ' THR . . . . . 0.509 ' O ' HG13 ' D' ' 493' ' ' ILE . 90.6 m -61.16 -53.19 60.05 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.897 0.332 . . . . 10.0 111.897 -179.109 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 2.8 m -62.22 -36.95 83.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.844 0.354 . . . . 10.0 110.938 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -68.18 -43.9 77.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.088 0.47 . . . . 10.0 109.957 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 492' ' ' ASN . . . . . 0.403 ' HB3' ' HB3' ' D' ' 497' ' ' ARG . 4.9 m-20 -54.12 -41.86 68.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.454 -0.794 . . . . 10.0 110.664 179.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 493' ' ' ILE . . . . . 0.509 HG13 ' O ' ' D' ' 489' ' ' THR . 56.8 mt -61.13 -45.16 99.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.65 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 3.6 mt -66.83 -34.45 77.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.764 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -73.92 -27.02 60.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.929 0.395 . . . . 10.0 110.965 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 111.66 24.24 5.35 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.591 -0.814 . . . . 10.0 112.87 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 497' ' ' ARG . . . . . 0.403 ' HB3' ' HB3' ' D' ' 492' ' ' ASN . 19.3 tpp180 -79.73 -40.49 28.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.238 0.542 . . . . 10.0 109.859 179.35 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 3.1 mp -97.15 127.7 49.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.429 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -61.43 134.01 56.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 20.6 m -83.07 157.83 65.41 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.429 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -66.76 83.63 0.31 Allowed 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.64 2.226 . . . . 10.0 112.335 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -84.01 137.59 40.36 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.242 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -62.11 122.94 11.64 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.743 2.295 . . . . 10.0 112.272 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.01 -0.995 . . . . 10.0 109.804 -179.834 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.537 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 23.3 ptt? . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 110.252 -0.277 . . . . 10.0 110.252 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -104.69 136.37 44.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.593 0.235 . . . . 10.0 110.941 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.5 pt -126.54 158.44 36.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 178.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -118.5 112.73 20.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.746 0.308 . . . . 10.0 111.201 -179.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.8 t -101.74 118.37 48.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.175 -0.466 . . . . 10.0 109.906 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -102.67 135.17 44.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.876 0.369 . . . . 10.0 111.033 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.7 p -101.41 174.61 5.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.674 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.7 mt -73.13 -13.48 61.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.979 0.419 . . . . 10.0 110.887 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 m -87.6 -14.02 41.24 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.107 0.48 . . . . 10.0 110.876 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.72 -13.7 53.53 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.964 -0.636 . . . . 10.0 111.777 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.432 ' HZ3' ' CD ' ' A' ' 34' ' ' GLU . 82.2 tttt -65.39 121.42 14.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.948 0.404 . . . . 10.0 110.736 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.3 m -103.15 108.6 19.85 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.201 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.2 mt -91.09 126.74 43.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.166 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.6 m -98.32 110.36 22.96 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.697 -0.483 . . . . 10.0 109.697 179.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.8 mt -110.07 149.43 30.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.018 0.437 . . . . 10.0 111.274 -179.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -107.4 108.23 19.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.738 -0.664 . . . . 10.0 109.83 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.537 ' O ' ' HG2' ' A' ' 1' ' ' MET . 12.8 m -136.04 -176.98 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.919 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.522 ' O ' HD11 ' A' ' 56' ' ' LEU . 20.0 mm-40 -131.36 153.57 81.67 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 109.066 -0.716 . . . . 10.0 109.066 179.163 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -53.06 -27.88 38.28 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.542 2.161 . . . . 10.0 112.751 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -80.57 7.45 9.98 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.975 -179.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -89.66 150.75 22.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.773 0.32 . . . . 10.0 110.789 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.76 148.04 22.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.13 -0.487 . . . . 10.0 110.736 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 51.6 mm -57.44 -39.22 67.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.035 0.445 . . . . 10.0 110.488 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -60.71 -39.18 87.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.64 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -69.86 -38.0 76.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.35 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.4 t -61.88 -43.38 97.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 10.0 109.885 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -63.62 -35.62 81.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.512 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.33 -28.0 68.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.508 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -78.2 -28.69 48.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.844 -0.616 . . . . 10.0 109.819 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 75.0 mt -71.51 -33.99 51.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.031 -0.729 . . . . 10.0 109.031 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -70.64 -27.21 63.88 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.067 178.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -68.08 -36.22 79.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.025 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -88.03 -67.44 0.83 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.338 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.432 ' CD ' ' HZ3' ' A' ' 11' ' ' LYS . 18.7 mm-40 -71.08 -59.14 2.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.304 -178.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.09 -4.47 11.35 Favored Glycine 0 C--O 1.229 -0.186 0 C-N-CA 120.878 -0.677 . . . . 10.0 112.149 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 24.1 mt -69.09 126.24 92.6 Favored Pre-proline 0 C--N 1.327 -0.396 0 N-CA-C 110.368 -0.234 . . . . 10.0 110.368 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.434 ' HB2' ' OD1' ' A' ' 39' ' ' ASP . 32.5 Cg_exo -57.27 145.24 88.24 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.657 2.238 . . . . 10.0 112.054 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -61.91 -20.66 70.2 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.853 2.369 . . . . 10.0 113.243 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.434 ' OD1' ' HB2' ' A' ' 37' ' ' PRO . 24.8 p30 -85.56 -12.08 52.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.906 0.384 . . . . 10.0 110.942 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -106.9 8.23 30.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.977 -0.556 . . . . 10.0 109.897 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 37' ' ' PRO . 77.3 mt-30 -104.12 125.6 50.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.451 -0.795 . . . . 10.0 110.687 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -120.5 95.37 4.7 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 178.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 mt -85.58 132.5 34.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.174 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 86.8 mt -124.44 135.2 64.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.107 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -138.0 125.14 21.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.383 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.77 29.03 18.16 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.026 -0.534 . . . . 10.0 112.078 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.5 3.01 86.91 Favored Glycine 0 C--N 1.329 0.167 0 C-N-CA 120.606 -0.807 . . . . 10.0 113.033 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -116.53 146.28 42.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.774 0.321 . . . . 10.0 110.457 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -84.96 138.34 32.54 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.748 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.9 mt -86.56 141.42 29.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.957 0.408 . . . . 10.0 111.113 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.43 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 5.4 mt-10 -99.84 149.12 23.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.901 -0.59 . . . . 10.0 109.888 179.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.88 -43.01 99.72 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.028 0.751 . . . . 10.0 113.028 -178.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 30.83 3.15 Favored Glycine 0 CA--C 1.516 0.155 0 C-N-CA 120.828 -0.701 . . . . 10.0 113.748 -178.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.43 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 22.5 mmt180 -121.35 159.69 25.57 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.806 0.336 . . . . 10.0 110.531 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.424 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 15.7 p -106.03 165.91 10.87 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.49 178.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.522 HD11 ' O ' ' A' ' 18' ' ' GLU . 94.2 mt -65.08 -33.88 77.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.91 0.386 . . . . 10.0 110.205 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.32 -20.64 63.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.286 179.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 55' ' ' THR . 14.7 m-20 -65.41 -37.66 87.61 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.009 0.433 . . . . 10.0 110.475 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -98.09 9.96 41.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.563 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 56.9 t30 63.17 29.91 16.01 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.426 -0.806 . . . . 10.0 110.901 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 86.3 mt -74.56 125.09 33.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.815 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -119.83 -163.52 1.0 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.856 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.403 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 61.7 pttt -73.49 148.63 42.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.05 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 68.51 12.13 8.6 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.375 -0.83 . . . . 10.0 112.136 179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.4 m -78.24 143.39 37.14 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 110.119 -0.326 . . . . 10.0 110.119 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 m -99.75 132.07 45.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.372 -0.377 . . . . 10.0 111.227 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -121.27 135.78 55.07 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 47.6 m80 -98.52 132.61 43.81 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.625 0.25 . . . . 10.0 110.601 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.9 tp -112.42 111.66 22.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.74 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.7 t -98.72 132.77 43.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.894 -0.593 . . . . 10.0 109.896 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 94.5 mt -75.29 141.24 43.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.266 -0.424 . . . . 10.0 111.023 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.7 ttt180 -105.61 106.91 17.63 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.16 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 24.9 mt -105.03 150.4 24.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.496 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.422 ' HD2' ' OE2' ' B' ' 51' ' ' GLU . 16.6 ttp180 -138.2 89.19 2.37 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.162 0.505 . . . . 10.0 110.626 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 137.94 -70.98 0.47 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.956 -0.64 . . . . 10.0 111.662 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.91 0 CA-C-O 118.605 -1.108 . . . . 10.0 112.058 179.527 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.0 ptt? . . . . . 0 N--CA 1.477 0.896 0 N-CA-C 109.527 -0.545 . . . . 10.0 109.527 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -113.37 156.27 23.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.995 0.426 . . . . 10.0 111.19 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.1 pt -133.72 159.91 42.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.5 -0.773 . . . . 10.0 109.817 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -111.15 95.88 5.8 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.973 0.416 . . . . 10.0 110.791 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 40.2 t -81.75 107.29 13.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -101.19 143.41 31.31 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.728 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.3 p -116.18 163.84 15.37 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.583 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 10.1 mt -61.89 -20.63 63.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.097 -0.501 . . . . 10.0 111.56 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.29 1.64 52.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.848 0.356 . . . . 10.0 111.63 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.7 23.89 61.38 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.854 -0.688 . . . . 10.0 113.378 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -102.39 121.36 42.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.907 0.353 . . . . 10.0 110.396 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.8 m -97.21 115.55 27.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.906 0.384 . . . . 10.0 110.105 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 mt -109.27 135.24 48.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 120.804 0.335 . . . . 10.0 111.069 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.97 137.58 51.51 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.103 -0.499 . . . . 10.0 109.809 178.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.5 mt -145.34 148.55 33.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.773 0.321 . . . . 10.0 110.962 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -72.11 123.23 22.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.103 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 m -136.49 142.09 39.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.963 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.561 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 7.8 mm-40 -103.44 162.53 19.73 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 115.879 -0.601 . . . . 10.0 109.901 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -60.19 -32.34 94.32 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 121.959 1.773 . . . . 10.0 111.573 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.48 10.51 27.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.534 -0.757 . . . . 10.0 111.81 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.561 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.3 OUTLIER -74.82 112.44 11.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.578 -0.283 . . . . 10.0 110.31 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.44 145.47 49.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.397 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.4 mm -53.66 -34.95 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.922 0.392 . . . . 10.0 110.661 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -61.07 -36.28 79.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.731 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.42 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 64.4 t30 -77.35 -36.23 53.96 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.781 -0.452 . . . . 10.0 109.781 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.2 t -60.82 -44.99 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.163 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -63.06 -29.03 70.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.842 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.26 -35.01 71.24 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.024 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 40.7 mttt -69.24 -35.16 75.84 Favored 'General case' 0 C--N 1.334 -0.073 0 CA-C-N 116.022 -0.535 . . . . 10.0 109.894 179.163 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 78.7 mt -66.12 -39.17 83.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.792 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -69.84 -23.99 63.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.228 0.537 . . . . 10.0 109.922 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -69.68 -35.18 74.91 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.267 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -93.28 -52.34 4.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.979 -0.555 . . . . 10.0 112.242 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -80.77 -45.17 17.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.911 0.386 . . . . 10.0 111.897 -178.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.53 -18.46 38.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.813 -0.708 . . . . 10.0 112.001 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 74.0 mt -64.13 124.03 84.1 Favored Pre-proline 0 C--N 1.329 -0.325 0 C-N-CA 122.219 0.208 . . . . 10.0 110.524 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.0 140.35 69.66 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.846 2.364 . . . . 10.0 112.501 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_exo -58.16 -23.71 62.96 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.983 2.455 . . . . 10.0 112.862 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -67.27 -26.38 66.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.125 0.488 . . . . 10.0 111.146 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -97.69 6.73 47.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.504 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -100.49 113.42 26.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.262 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.455 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 15.5 ttt180 -109.8 104.67 13.66 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.938 -0.764 . . . . 10.0 108.938 178.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 11.1 mt -89.9 128.63 36.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.458 -177.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -125.81 134.35 66.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.402 -0.817 . . . . 10.0 110.56 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -129.44 123.59 31.97 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.996 -0.742 . . . . 10.0 108.996 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.35 23.56 13.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.848 -0.614 . . . . 10.0 111.367 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.06 10.85 65.82 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.854 -0.688 . . . . 10.0 113.45 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -125.42 152.1 45.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 117.042 0.421 . . . . 10.0 110.954 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -78.69 148.7 33.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.436 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 33.5 mt -105.85 143.01 34.6 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.792 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.422 ' OE2' ' HD2' ' A' ' 74' ' ' ARG . 16.1 mt-10 -85.49 143.99 28.21 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 178.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.23 -38.3 79.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.772 0.32 . . . . 10.0 111.813 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.08 46.32 3.06 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 121.022 -0.608 . . . . 10.0 113.048 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.42 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 21.8 mmt180 -128.4 158.09 39.25 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.366 -0.235 . . . . 10.0 110.366 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 7.1 p -108.28 168.91 8.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.319 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.22 -40.22 93.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.05 0.453 . . . . 10.0 111.106 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.39 -16.39 62.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.685 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -68.3 -36.85 79.97 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.053 0.454 . . . . 10.0 110.601 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -100.25 14.66 30.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.052 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 64.9 t30 57.12 47.5 17.14 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.158 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.0 mt -82.4 116.57 26.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -91.74 -178.36 5.03 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.472 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -76.06 150.64 37.28 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.261 -0.274 . . . . 10.0 110.261 179.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 62.14 35.12 15.86 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 123.564 0.54 . . . . 10.0 111.502 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 26.6 m -96.53 147.28 24.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.938 0.399 . . . . 10.0 110.813 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 49.0 m -87.27 129.04 35.14 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.789 -0.641 . . . . 10.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 4.2 mp -110.82 123.96 51.1 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.556 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 34.5 m80 -88.08 112.58 22.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.046 0.451 . . . . 10.0 111.045 -179.145 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 53.8 tp -100.69 96.79 7.57 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.045 -0.525 . . . . 10.0 109.906 179.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.455 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 89.0 t -77.31 127.01 38.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.249 -179.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 30.2 mt -90.07 141.22 28.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.679 -0.691 . . . . 10.0 109.69 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.73 155.91 42.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.772 0.32 . . . . 10.0 111.008 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -106.43 145.13 32.15 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.821 -0.437 . . . . 10.0 109.821 179.072 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -118.57 -34.91 3.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.523 -178.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.5 -59.41 2.22 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.645 -0.788 . . . . 10.0 111.844 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.175 0 CA-C-O 118.888 -0.951 . . . . 10.0 111.827 179.635 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.477 0.885 0 CA-C-O 120.423 0.154 . . . . 10.0 110.679 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 65.26 20.52 11.91 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.224 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.72 -44.48 85.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 10.0 111.276 -179.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -65.4 -40.46 93.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.888 0.375 . . . . 10.0 110.486 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 84.8 mt -68.75 -38.13 79.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.222 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -65.33 -47.86 75.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.922 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.25 -33.97 76.65 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.798 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 22.2 ttm -68.44 -39.04 81.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.247 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -66.23 -34.49 78.12 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.193 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -57.1 -35.53 69.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.542 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -65.21 -40.03 93.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.517 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 32.8 mt -77.33 -28.62 16.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.611 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -65.18 -26.98 68.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.082 0.467 . . . . 10.0 110.149 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -82.54 -23.71 34.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.784 -0.643 . . . . 10.0 110.269 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 467' ' ' MET . . . . . 0.556 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 27.4 mmm -86.08 -36.55 19.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.354 -0.839 . . . . 10.0 110.579 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 468' ' ' PHE . . . . . 0.441 ' O ' HG13 ' D' ' 471' ' ' VAL . 8.8 m-85 -126.72 80.8 69.91 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.389 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -76.78 32.46 0.42 Allowed 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 122.609 2.206 . . . . 10.0 112.744 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -134.27 10.12 3.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.029 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 471' ' ' VAL . . . . . 0.441 HG13 ' O ' ' D' ' 468' ' ' PHE . 13.9 p -122.18 135.6 25.59 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.359 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 472' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -58.25 135.08 65.85 Favored 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 122.677 2.251 . . . . 10.0 112.713 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -56.12 -41.48 75.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.506 -0.77 . . . . 10.0 112.542 -178.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 40.2 p-80 -64.46 -30.89 71.92 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.689 0.255 . . . . 10.0 111.689 -178.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 31.0 mt -74.78 -32.84 62.14 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.753 0.311 . . . . 10.0 110.476 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 34.8 t -68.73 -42.76 83.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 108.951 -0.759 . . . . 10.0 108.951 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 2.3 mt -66.03 -22.5 66.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.364 -0.835 . . . . 10.0 110.93 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 478' ' ' GLN . . . . . 0.417 HE21 ' HB3' ' D' ' 478' ' ' GLN . 3.8 tt0 -65.65 -50.76 63.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.288 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -69.47 -32.81 71.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.222 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 480' ' ' LEU . . . . . 0.564 ' O ' ' HG3' ' D' ' 484' ' ' ARG . 0.3 OUTLIER -61.35 -22.33 64.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.824 179.255 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -91.81 4.47 52.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.143 -0.481 . . . . 10.0 111.021 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.14 -48.27 1.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.809 0.337 . . . . 10.0 110.853 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 67.7 p -93.5 -42.89 8.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.476 -0.329 . . . . 10.0 111.196 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 484' ' ' ARG . . . . . 0.564 ' HG3' ' O ' ' D' ' 480' ' ' LEU . 1.8 mpt_? 64.74 35.78 8.55 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.782 -0.645 . . . . 10.0 111.294 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 4.0 t -151.53 129.67 11.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.78 0.324 . . . . 10.0 110.988 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 35.1 m -68.37 -26.11 32.97 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-O 121.038 0.447 . . . . 10.0 110.465 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -74.23 -5.35 41.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.741 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 40.7 mt -117.0 -51.81 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.857 179.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 489' ' ' THR . . . . . 0.442 ' O ' HG13 ' D' ' 493' ' ' ILE . 46.0 m -52.98 -48.33 67.54 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.675 0.62 . . . . 10.0 112.675 -179.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 1.4 m -60.98 -41.93 97.37 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.675 0.25 . . . . 10.0 111.675 -178.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -71.1 -36.74 72.31 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -56.32 -40.26 74.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.237 -0.892 . . . . 10.0 110.641 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 493' ' ' ILE . . . . . 0.442 HG13 ' O ' ' D' ' 489' ' ' THR . 75.4 mt -66.46 -40.97 87.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.775 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 12.3 mt -65.9 -38.09 87.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.486 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -73.02 -43.97 61.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.1 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 124.47 32.03 0.86 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.561 -0.828 . . . . 10.0 112.139 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -84.27 -28.8 26.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.438 0.637 . . . . 10.0 109.465 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 3.7 mp -108.27 136.36 44.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.189 -0.914 . . . . 10.0 109.325 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -61.41 125.76 24.91 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.328 0.393 . . . . 10.0 111.045 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 26.3 m -94.46 158.85 34.93 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.718 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.1 114.76 2.15 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.415 2.076 . . . . 10.0 111.817 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -129.67 136.32 28.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.011 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -65.41 103.44 0.54 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.488 2.126 . . . . 10.0 112.285 179.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.252 1.207 0 CA-C-O 118.136 -0.935 . . . . 10.0 109.819 -179.854 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 120.801 0.334 . . . . 10.0 110.214 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -104.05 142.56 34.24 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.553 -0.294 . . . . 10.0 110.956 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.4 pt -132.75 166.17 30.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.508 -0.552 . . . . 10.0 109.508 178.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.489 ' O ' ' HA ' ' A' ' 66' ' ' THR . 43.1 m-85 -120.87 131.41 54.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.562 0.22 . . . . 10.0 110.565 -179.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 63.2 t -115.83 124.33 72.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.97 -0.382 . . . . 10.0 109.97 179.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.1 tttp -104.27 129.59 52.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.99 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.71 167.36 11.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.093 -0.503 . . . . 10.0 109.99 179.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.9 mt -60.36 -27.6 67.52 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 111.847 0.314 . . . . 10.0 111.847 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.6 p -77.01 -14.28 59.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.95 0.405 . . . . 10.0 111.563 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.44 -9.84 42.04 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.925 -0.655 . . . . 10.0 111.712 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -62.69 139.9 58.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.676 0.274 . . . . 10.0 110.846 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -120.83 117.85 28.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.519 -0.309 . . . . 10.0 110.296 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mp -108.54 134.43 50.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.585 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.97 137.26 32.5 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.789 -0.449 . . . . 10.0 109.789 179.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.8 mt -133.74 142.8 48.11 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.994 0.426 . . . . 10.0 111.52 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -98.33 112.41 24.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.628 -0.714 . . . . 10.0 109.263 178.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.6 m -138.05 -175.56 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.912 -0.585 . . . . 10.0 109.852 -179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.483 ' O ' HD11 ' A' ' 56' ' ' LEU . 7.2 mm-40 -139.55 154.04 71.04 Favored Pre-proline 0 C--N 1.316 -0.864 0 N-CA-C 108.754 -0.832 . . . . 10.0 108.754 178.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.0 -29.96 56.98 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.01 1.807 . . . . 10.0 112.338 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 p -83.57 -0.34 49.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.849 -0.614 . . . . 10.0 112.158 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -76.5 142.46 40.9 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.018 0.437 . . . . 10.0 110.571 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.21 146.66 28.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.55 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.573 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 46.3 mm -56.81 -42.58 78.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.859 0.361 . . . . 10.0 110.298 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -62.1 -35.8 79.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.896 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -67.28 -32.8 74.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.05 0.452 . . . . 10.0 109.795 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.8 t -69.78 -34.94 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.403 178.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 10.3 mmmm -59.66 -39.35 84.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.609 179.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.9 -33.48 75.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.511 -0.768 . . . . 10.0 110.605 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -70.51 -40.89 73.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.815 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.4 mt -67.66 -39.4 82.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.932 -0.576 . . . . 10.0 109.604 178.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -62.41 -36.0 80.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.584 -0.735 . . . . 10.0 111.214 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.1 -33.41 75.95 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.479 -0.328 . . . . 10.0 111.66 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -92.67 -55.29 3.43 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.163 0.431 . . . . 10.0 112.163 -178.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -72.26 -32.25 66.5 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.441 0.534 . . . . 10.0 112.441 -178.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.63 9.84 84.13 Favored Glycine 0 C--O 1.229 -0.188 0 C-N-CA 120.482 -0.866 . . . . 10.0 111.362 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.4 mt -95.1 128.27 39.53 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.51 -0.345 . . . . 10.0 110.252 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.17 145.59 53.45 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.679 2.253 . . . . 10.0 112.357 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.41 -22.64 59.61 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.038 2.492 . . . . 10.0 112.585 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -70.19 -31.02 68.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.727 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -89.56 -8.86 51.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.899 -0.591 . . . . 10.0 111.329 -179.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -88.41 105.54 17.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.389 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -105.22 98.25 7.98 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.198 -0.667 . . . . 10.0 109.198 178.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.7 mt -84.12 131.45 34.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.829 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 83.4 mt -132.24 135.04 58.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.666 -0.697 . . . . 10.0 109.977 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -138.38 126.09 22.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.334 -0.394 . . . . 10.0 109.954 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.01 26.89 16.24 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.489 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.55 -2.88 87.83 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 116.012 -0.54 . . . . 10.0 112.65 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -103.61 138.7 39.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.77 0.319 . . . . 10.0 110.588 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -78.72 133.09 37.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.21 -0.45 . . . . 10.0 109.811 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.6 mt -88.85 119.13 29.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.993 0.425 . . . . 10.0 111.209 -179.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.69 136.81 36.25 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.331 179.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.3 -33.27 67.51 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.519 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.48 48.41 3.56 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.98 -0.628 . . . . 10.0 112.892 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.9 mmt-85 -144.42 170.61 15.69 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.7 p -113.81 167.6 10.5 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.91 -0.404 . . . . 10.0 109.91 178.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.483 HD11 ' O ' ' A' ' 18' ' ' GLU . 57.1 mt -64.58 -33.64 76.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.045 0.45 . . . . 10.0 110.412 179.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -27.7 69.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.645 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -65.82 -38.71 89.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.722 -178.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -96.77 9.5 41.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.536 -0.302 . . . . 10.0 111.102 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 61.0 36.21 18.69 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.794 0.684 . . . . 10.0 110.899 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 83.3 mt -78.69 107.1 10.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.175 0.512 . . . . 10.0 110.283 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -86.87 -175.01 5.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.464 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -76.5 153.5 35.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.739 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 60.34 32.54 20.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.762 -0.654 . . . . 10.0 112.189 179.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.6 m -95.42 144.13 26.19 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.966 -0.383 . . . . 10.0 109.966 178.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.489 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 53.4 m -98.33 121.44 40.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.972 0.415 . . . . 10.0 110.868 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.0 mp -104.85 149.14 25.92 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.188 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -98.35 134.93 40.67 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.144 -0.317 . . . . 10.0 110.144 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.3 tp -119.64 109.41 15.64 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.992 0.425 . . . . 10.0 110.688 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 15.5 t -100.1 143.05 14.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.028 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.5 mt -95.06 159.67 14.91 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 110.139 -0.319 . . . . 10.0 110.139 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -133.67 139.87 46.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.037 0.446 . . . . 10.0 111.039 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.3 mt -109.08 171.83 7.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.866 -0.606 . . . . 10.0 109.549 179.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 70.4 mtt-85 -128.03 -73.62 0.59 Allowed 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.916 -0.313 . . . . 10.0 111.594 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.93 96.37 1.89 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.793 -0.718 . . . . 10.0 112.955 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.49 ' C ' ' HZ1' ' B' ' 48' ' ' LYS . . . . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.594 -1.114 . . . . 10.0 111.688 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 110.136 -0.32 . . . . 10.0 110.136 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -114.75 137.41 51.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.632 0.253 . . . . 10.0 111.017 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 25.2 pt -127.29 161.75 33.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.425 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -113.28 125.91 54.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 43.0 t -110.81 122.33 65.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.436 ' HD3' ' SD ' ' D' ' 467' ' ' MET . 19.0 tttp -104.69 144.01 32.3 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.861 -179.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.2 p -119.1 169.08 10.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.694 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 60.9 mt -65.4 -22.02 66.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.825 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.6 p -80.25 -10.32 59.75 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.974 0.416 . . . . 10.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.79 -6.6 62.6 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.045 -0.597 . . . . 10.0 112.305 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -69.15 126.84 31.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.888 0.375 . . . . 10.0 110.835 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.86 110.66 22.49 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.749 179.29 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.4 mt -104.51 142.01 18.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.497 -0.32 . . . . 10.0 111.083 -178.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -106.75 129.25 54.66 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 178.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 94.4 mt -126.8 142.28 51.59 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.172 0.51 . . . . 10.0 111.98 -178.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -85.25 115.15 22.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.303 -0.862 . . . . 10.0 109.786 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 17.1 m -135.46 176.13 9.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.35 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 6.6 mm-40 -138.84 162.35 53.21 Favored Pre-proline 0 C--N 1.316 -0.856 0 N-CA-C 108.923 -0.769 . . . . 10.0 108.923 179.077 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . 0.509 ' O ' ' HB ' ' B' ' 55' ' ' THR . 50.5 Cg_exo -54.43 -35.87 86.15 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.084 1.856 . . . . 10.0 112.552 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.88 -7.53 58.02 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.339 0.496 . . . . 10.0 112.339 -179.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.446 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.8 OUTLIER -66.29 122.67 18.02 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 110.07 -0.345 . . . . 10.0 110.07 -179.546 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.8 143.72 41.74 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.043 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 48.3 mm -52.88 -36.71 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 O-C-N 123.291 0.37 . . . . 10.0 111.365 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -62.68 -43.81 97.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.966 0.412 . . . . 10.0 110.672 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.459 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 63.2 t30 -63.46 -36.04 82.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.61 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 41.5 t -61.5 -41.85 91.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.066 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -66.8 -32.3 73.49 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.33 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.96 -35.21 80.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.257 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 26.7 mttt -66.52 -38.16 86.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.703 178.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 62.4 mt -69.14 -33.48 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.587 -0.733 . . . . 10.0 109.949 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -66.84 -31.93 72.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.878 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -82.34 -38.76 23.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.797 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -73.0 -53.63 10.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.88 -0.6 . . . . 10.0 112.425 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -93.65 -46.9 7.05 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.765 0.283 . . . . 10.0 111.765 -178.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.33 -3.13 25.16 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.529 -0.843 . . . . 10.0 111.906 -179.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 64.1 mt -72.36 127.34 90.31 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.636 -0.282 . . . . 10.0 110.272 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -57.91 141.97 96.25 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.537 2.158 . . . . 10.0 112.001 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -59.82 -26.33 81.93 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.389 2.06 . . . . 10.0 111.997 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -66.17 -19.74 65.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.544 -0.753 . . . . 10.0 111.395 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -108.36 11.6 26.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.881 0.372 . . . . 10.0 110.759 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -106.93 106.55 17.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.337 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.403 ' O ' ' HB ' ' B' ' 70' ' ' VAL . 53.4 mtp180 -108.54 100.14 9.44 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.956 -0.757 . . . . 10.0 108.956 178.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 15.9 mt -79.35 121.74 25.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.054 0.454 . . . . 10.0 111.461 -178.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -117.83 133.34 64.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.452 -0.794 . . . . 10.0 110.202 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.508 ' O ' ' HG2' ' B' ' 48' ' ' LYS . 81.8 t80 -132.45 120.74 22.36 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.11 -0.7 . . . . 10.0 109.11 178.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.25 16.48 10.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.766 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.16 -3.59 55.12 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 120.814 -0.707 . . . . 10.0 113.604 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' B' ' 45' ' ' PHE . 9.9 ptmt -117.26 156.37 27.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 117.185 0.492 . . . . 10.0 110.849 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -86.63 146.38 26.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.709 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 19.7 mt -97.62 132.88 42.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.364 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.468 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 36.1 mt-10 -81.91 149.88 28.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.115 179.513 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.14 -35.37 80.3 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.037 0.384 . . . . 10.0 112.037 -178.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.71 28.89 3.42 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 120.916 -0.659 . . . . 10.0 113.512 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.468 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 16.4 mmt180 -128.16 164.72 21.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 117.165 0.483 . . . . 10.0 110.143 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.509 ' HB ' ' O ' ' B' ' 19' ' ' PRO . 11.9 p -111.36 169.59 8.69 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.048 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 21.7 mt -67.25 -33.85 76.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.921 0.391 . . . . 10.0 111.261 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -22.04 63.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.403 -0.362 . . . . 10.0 111.27 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -63.45 -45.47 90.71 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 121.009 0.433 . . . . 10.0 110.957 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -87.28 15.31 6.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.38 -179.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 t30 59.84 40.19 19.65 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.379 0.609 . . . . 10.0 110.921 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 61.9 mt -93.24 128.49 44.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.771 -0.65 . . . . 10.0 110.031 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -118.65 -164.69 1.05 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.3 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -73.03 156.92 38.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.685 -0.234 . . . . 10.0 110.756 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 68.5 9.94 7.58 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.75 0.657 . . . . 10.0 112.119 178.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 14.8 m -82.77 147.73 28.24 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.304 -0.258 . . . . 10.0 110.304 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.0 m -106.15 128.66 54.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.47 -0.332 . . . . 10.0 111.159 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -108.16 135.62 49.19 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.822 -0.626 . . . . 10.0 109.468 179.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.466 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 33.5 m80 -89.96 113.66 25.35 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.872 -179.426 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 49.0 tp -91.18 90.92 8.0 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.693 -0.484 . . . . 10.0 109.693 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.44 ' CG1' ' HB ' ' D' ' 490' ' ' THR . 25.2 t -76.37 113.35 15.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.035 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 51.5 mt -81.96 138.59 34.92 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.888 -0.782 . . . . 10.0 108.888 178.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.83 162.09 36.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.033 0.444 . . . . 10.0 111.349 -179.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.12 174.13 7.43 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.482 -0.781 . . . . 10.0 109.022 179.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -122.02 25.23 9.2 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.411 0.624 . . . . 10.0 109.518 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -177.56 54.05 0.1 OUTLIER Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.331 -0.85 . . . . 10.0 111.413 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.169 0 CA-C-O 119.022 -0.877 . . . . 10.0 111.895 -179.522 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 4.4 p . . . . . 0 N--CA 1.477 0.91 0 CA-C-O 120.683 0.278 . . . . 10.0 110.542 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 62.59 23.64 14.06 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.277 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.32 -47.99 79.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.015 0.436 . . . . 10.0 110.888 -179.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -67.79 -36.68 80.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.679 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 70.9 mt -66.18 -40.79 90.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.463 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -61.55 -48.43 81.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.627 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.74 -44.18 94.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.692 -0.686 . . . . 10.0 111.263 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 56.8 mtm -64.59 -34.65 78.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.969 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.87 -38.79 92.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.948 0.404 . . . . 10.0 110.108 179.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -62.03 -37.69 85.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.94 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -58.74 -45.71 89.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.521 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 40.7 mt -72.34 -32.08 41.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.72 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 50.8 tp60 -60.83 -36.01 77.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.007 0.432 . . . . 10.0 110.782 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -81.31 -7.69 59.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.718 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 467' ' ' MET . . . . . 0.466 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 86.3 mmm -99.22 -32.47 11.2 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.311 0.577 . . . . 10.0 110.174 179.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 468' ' ' PHE . . . . . 0.431 ' O ' HG13 ' D' ' 471' ' ' VAL . 2.3 m-85 -129.11 84.93 61.26 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.948 -0.569 . . . . 10.0 109.982 179.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.06 37.29 0.58 Allowed 'Trans proline' 0 CA--C 1.531 0.332 0 C-N-CA 122.584 2.189 . . . . 10.0 113.194 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -140.37 12.53 2.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.929 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 471' ' ' VAL . . . . . 0.431 HG13 ' O ' ' D' ' 468' ' ' PHE . 9.4 p -125.04 133.81 25.15 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.51 -0.313 . . . . 10.0 110.43 -179.545 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 472' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.53 136.4 67.15 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.785 2.323 . . . . 10.0 112.406 179.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -55.59 -42.61 75.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.844 -0.616 . . . . 10.0 112.294 -178.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 34.8 p-80 -66.06 -27.99 68.5 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.133 -0.227 . . . . 10.0 111.584 -179.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 14.2 mt -74.88 -34.99 62.3 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.803 -0.443 . . . . 10.0 109.803 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 48.2 t -67.86 -43.01 86.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.389 0.614 . . . . 10.0 109.665 178.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . 0.45 ' O ' ' HG3' ' D' ' 481' ' ' GLN . 9.4 mt -62.38 -26.58 68.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.337 -0.847 . . . . 10.0 111.03 179.522 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -67.46 -48.7 66.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.403 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -63.75 -38.07 89.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.464 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -59.63 -19.7 50.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.739 -0.664 . . . . 10.0 112.116 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 481' ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' D' ' 477' ' ' LEU . 74.9 mt-30 -86.8 -18.94 29.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.52 0.2 . . . . 10.0 110.967 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -102.68 -45.94 4.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.515 -0.311 . . . . 10.0 111.375 -179.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 65.3 p -85.48 -49.91 7.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.72 0.295 . . . . 10.0 111.07 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 33.2 mtt180 68.56 19.03 8.8 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.271 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 2.7 m -141.14 116.37 10.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.555 -0.748 . . . . 10.0 109.58 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 16.9 m -58.73 -28.87 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 112.273 0.471 . . . . 10.0 112.273 -178.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -66.1 -19.36 65.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.329 . . . . 10.0 111.742 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 23.0 mt -95.53 -38.56 8.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.668 0.271 . . . . 10.0 110.57 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 6.8 m -57.68 -41.31 81.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.914 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 490' ' ' THR . . . . . 0.44 ' HB ' ' CG1' ' B' ' 70' ' ' VAL . 0.2 OUTLIER -59.82 -50.0 75.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.877 0.37 . . . . 10.0 111.34 -179.861 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 491' ' ' ASP . . . . . 0.558 ' O ' ' HG2' ' D' ' 495' ' ' GLU . 2.6 t70 -66.2 -39.79 89.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.82 -0.627 . . . . 10.0 109.994 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -54.23 -41.41 68.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.5 -0.773 . . . . 10.0 111.437 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 98.3 mt -66.85 -44.36 89.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.294 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 1.9 mt -66.17 -37.6 86.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.394 -0.367 . . . . 10.0 111.671 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 495' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' D' ' 491' ' ' ASP . 40.3 mm-40 -70.74 -59.23 2.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.906 0.384 . . . . 10.0 110.753 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 145.28 26.1 0.1 Allowed Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.274 -0.965 . . . . 10.0 112.979 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -76.79 -39.23 52.21 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 39.4 mt -107.87 109.74 29.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.288 179.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -65.66 127.04 30.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.354 -179.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 26.8 m -72.45 160.7 82.11 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.521 -0.763 . . . . 10.0 110.489 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.98 100.53 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.698 2.266 . . . . 10.0 112.479 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -105.62 133.27 20.26 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.822 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -63.66 117.59 4.56 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.577 2.185 . . . . 10.0 112.162 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.332 -0.842 . . . . 10.0 110.116 -179.772 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.451 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 22.2 ptt? . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 109.996 -0.372 . . . . 10.0 109.996 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -101.82 138.31 38.96 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.913 0.387 . . . . 10.0 111.998 -178.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.1 pt -123.7 161.35 26.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.017 -0.734 . . . . 10.0 109.017 178.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.455 ' O ' ' HA ' ' A' ' 66' ' ' THR . 95.3 m-85 -117.93 113.03 21.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.983 0.42 . . . . 10.0 111.282 -178.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.2 t -103.74 122.62 56.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.756 -0.461 . . . . 10.0 109.756 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -101.6 131.69 47.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.066 0.46 . . . . 10.0 111.599 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.2 164.54 14.93 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.892 179.209 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.4 mt -63.74 -26.61 68.73 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.902 0.334 . . . . 10.0 111.902 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.55 -13.41 60.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.732 0.301 . . . . 10.0 111.602 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.09 -7.83 35.57 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.845 -0.693 . . . . 10.0 112.242 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -69.28 148.2 50.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.854 0.359 . . . . 10.0 111.042 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -119.35 129.87 55.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.154 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.4 mt -113.12 134.66 55.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.995 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.77 125.27 45.65 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.394 179.228 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.6 mt -123.72 139.79 53.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.992 0.425 . . . . 10.0 111.405 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -97.48 103.14 15.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.476 -0.784 . . . . 10.0 108.986 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.451 ' O ' ' HG2' ' A' ' 1' ' ' MET . 15.6 m -132.27 174.63 12.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.358 -178.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.468 ' O ' HD11 ' A' ' 56' ' ' LEU . 74.4 mm-40 -128.78 156.12 78.2 Favored Pre-proline 0 C--N 1.32 -0.696 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 179.123 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -49.86 -38.28 47.39 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 122.804 2.336 . . . . 10.0 113.684 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 m -83.4 12.42 5.52 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.443 0.534 . . . . 10.0 112.443 -179.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -81.4 142.24 33.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.9 0.381 . . . . 10.0 110.309 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.29 144.08 30.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.944 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.6 mm -58.7 -41.57 82.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.795 0.331 . . . . 10.0 110.439 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -58.35 -36.84 74.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.428 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.471 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 64.9 t30 -68.01 -38.73 82.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.992 179.505 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.0 t -63.37 -41.19 91.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.941 179.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -60.15 -39.94 88.12 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.065 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.18 -37.83 88.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.573 -0.74 . . . . 10.0 110.582 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 86.0 mttt -64.94 -34.96 79.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.34 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 79.6 mt -70.1 -39.46 77.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 116.152 -0.476 . . . . 10.0 109.981 178.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -63.57 -41.06 98.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.647 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -64.1 -26.67 68.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.359 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -91.84 -61.52 1.61 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.708 0.632 . . . . 10.0 112.708 -179.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -86.34 -22.27 26.79 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.442 0.904 . . . . 10.0 113.442 -177.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.57 46.26 7.45 Favored Glycine 0 C--N 1.324 -0.123 0 C-N-CA 120.455 -0.878 . . . . 10.0 112.244 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.0 mt -118.96 123.96 28.61 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 110.208 -0.293 . . . . 10.0 110.208 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -49.75 131.0 28.13 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.885 2.39 . . . . 10.0 112.175 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.94 -37.73 85.92 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.099 2.533 . . . . 10.0 112.919 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.37 -15.03 63.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.999 0.428 . . . . 10.0 111.48 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -100.27 -4.03 30.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.076 -179.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -91.72 132.34 36.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.179 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -122.32 96.18 4.94 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 178.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 69.9 mt -87.62 117.38 26.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.699 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mp -119.07 132.3 69.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.381 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -129.42 119.61 24.11 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.721 -0.672 . . . . 10.0 109.436 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.95 36.08 12.87 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.307 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.2 0.02 85.08 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.998 -0.62 . . . . 10.0 113.686 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -118.15 135.89 53.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 117.325 0.563 . . . . 10.0 110.872 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -76.7 144.77 39.14 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.0 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 44.9 mt -91.32 136.51 33.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.299 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -82.92 134.53 35.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.137 -0.483 . . . . 10.0 109.863 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -59.34 -37.69 78.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.949 -178.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.1 22.29 6.16 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 121.226 -0.511 . . . . 10.0 113.382 -178.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 55.5 mmt-85 -124.41 169.85 11.43 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.075 0.437 . . . . 10.0 110.647 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.1 p -110.25 172.88 6.6 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.779 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.468 HD11 ' O ' ' A' ' 18' ' ' GLU . 90.3 mt -67.43 -32.52 73.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.067 0.46 . . . . 10.0 110.279 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.51 -22.95 65.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.734 -0.666 . . . . 10.0 111.173 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -66.02 -27.18 67.92 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.428 -179.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -112.5 10.42 19.67 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.22 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.7 t30 56.54 37.69 29.02 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.371 -0.831 . . . . 10.0 111.363 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 72.7 mt -74.72 116.85 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.07 -0.514 . . . . 10.0 109.734 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -97.17 -169.82 1.92 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.704 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -79.86 151.44 30.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.684 0.278 . . . . 10.0 111.38 -179.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 67.5 23.37 9.01 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.305 -0.861 . . . . 10.0 111.88 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.3 m -86.77 142.81 27.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.059 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 2.9 m -96.06 126.19 41.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.404 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -114.62 143.98 44.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.69 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -97.34 126.8 42.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.721 0.296 . . . . 10.0 110.648 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.8 tp -107.95 101.41 10.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.367 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.4 t -96.18 141.2 15.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.109 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 92.2 mt -87.39 132.2 34.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.03 0.443 . . . . 10.0 111.006 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -89.02 84.88 6.6 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.922 -0.581 . . . . 10.0 109.884 179.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.6 mt -84.4 92.0 7.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.058 0.456 . . . . 10.0 110.802 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -131.87 166.99 20.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.795 -0.638 . . . . 10.0 110.063 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.42 -135.34 13.09 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.921 -0.656 . . . . 10.0 112.587 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.176 0 CA-C-O 118.577 -1.124 . . . . 10.0 111.818 -179.748 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.423 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 26.2 ptt? . . . . . 0 N--CA 1.483 1.2 0 N-CA-C 110.246 -0.279 . . . . 10.0 110.246 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -110.72 141.9 43.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.841 0.353 . . . . 10.0 110.624 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 24.8 pt -129.51 151.98 36.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.136 -0.483 . . . . 10.0 109.938 178.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -107.49 112.31 25.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.442 -0.344 . . . . 10.0 110.727 -179.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.7 t -101.17 121.08 51.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -106.5 141.61 37.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.751 0.31 . . . . 10.0 111.289 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.1 p -111.81 167.67 10.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.666 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.444 ' CD1' ' HA ' ' D' ' 487' ' ' GLU . 46.8 mt -70.12 -14.91 62.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.094 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.67 -12.89 59.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.227 0.537 . . . . 10.0 110.564 179.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.86 5.13 58.67 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.778 -0.646 . . . . 10.0 112.32 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -88.04 139.38 30.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.81 0.338 . . . . 10.0 110.868 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.3 m -115.03 118.99 34.97 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 mp -105.7 128.84 59.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.856 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.52 109.86 21.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.18 179.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.6 mt -103.46 156.07 18.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.107 0.479 . . . . 10.0 111.598 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -109.2 109.45 20.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.389 -0.823 . . . . 10.0 109.794 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.423 ' O ' ' HG2' ' B' ' 1' ' ' MET . 16.7 m -138.97 174.08 10.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.624 -179.455 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.507 ' O ' HD12 ' B' ' 56' ' ' LEU . 70.3 mm-40 -124.27 158.36 61.33 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 109.674 -0.491 . . . . 10.0 109.674 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -57.75 -22.38 52.78 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.281 1.987 . . . . 10.0 112.947 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -93.73 8.41 41.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.915 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -78.61 157.5 28.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.889 0.376 . . . . 10.0 110.342 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.5 145.9 29.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.496 -179.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.6 mm -54.91 -43.51 68.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.266 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -58.12 -35.09 70.96 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 121.051 0.453 . . . . 10.0 111.073 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -72.23 -38.24 68.99 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.703 -0.48 . . . . 10.0 109.703 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.4 t -62.81 -40.14 87.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.601 178.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -59.87 -39.63 85.92 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.855 178.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.42 -37.22 82.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.62 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.98 -38.0 87.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.177 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 79.0 mt -70.18 -32.06 49.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-O 121.333 0.587 . . . . 10.0 109.734 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -62.14 -40.64 96.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.541 -0.754 . . . . 10.0 110.899 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -74.36 -19.43 60.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.126 0.489 . . . . 10.0 110.876 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -84.1 -60.62 2.04 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.709 0.633 . . . . 10.0 112.709 -178.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -96.23 -15.66 21.87 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.604 0.594 . . . . 10.0 112.604 -177.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.96 31.5 53.03 Favored Glycine 0 C--O 1.229 -0.168 0 C-N-CA 120.623 -0.799 . . . . 10.0 112.253 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.6 mt -109.48 125.88 30.4 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 110.365 -0.235 . . . . 10.0 110.365 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.22 140.97 71.48 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.704 2.269 . . . . 10.0 112.278 179.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.09 -23.27 60.15 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.847 2.365 . . . . 10.0 112.787 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -70.27 -13.82 62.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.051 0.453 . . . . 10.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -107.94 -0.98 21.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.585 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -96.48 104.61 16.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.93 -178.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 35.0 mtp180 -104.77 97.27 7.18 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.871 -0.789 . . . . 10.0 108.871 177.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 41.6 mt -81.41 121.68 26.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.408 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -119.47 125.15 74.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.266 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.513 ' O ' ' HE3' ' B' ' 48' ' ' LYS . 77.2 t80 -110.21 106.6 16.09 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.688 -0.486 . . . . 10.0 109.688 178.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.52 44.02 21.81 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.912 -0.585 . . . . 10.0 112.193 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.01 8.07 84.54 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.846 -0.693 . . . . 10.0 113.974 178.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.513 ' HE3' ' O ' ' B' ' 45' ' ' PHE . 25.1 mtmt -124.2 124.52 42.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 117.304 0.552 . . . . 10.0 110.576 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.26 139.23 46.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.943 0.401 . . . . 10.0 110.344 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.412 HD21 ' HB3' ' B' ' 45' ' ' PHE . 17.3 mt -98.39 145.32 26.84 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.631 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.461 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 27.1 mt-10 -94.34 154.24 17.59 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -64.39 -44.25 91.92 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.102 0.408 . . . . 10.0 112.102 -178.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.17 47.91 3.81 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.97 -0.633 . . . . 10.0 112.951 -179.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.461 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 28.5 mmt180 -135.61 152.69 51.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 10.0 110.458 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.567 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 0.2 OUTLIER -94.45 157.84 15.83 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 178.899 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.507 HD12 ' O ' ' B' ' 18' ' ' GLU . 79.1 mt -63.51 -32.95 74.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.336 0.589 . . . . 10.0 110.046 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.95 -13.7 61.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.655 -0.702 . . . . 10.0 111.223 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.567 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.5 m-20 -67.01 -28.03 67.91 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.946 0.403 . . . . 10.0 110.703 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -111.26 12.67 21.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.994 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 62.7 t30 61.31 35.25 18.16 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.438 -0.801 . . . . 10.0 111.016 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.6 mt -78.02 104.53 6.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.006 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -91.02 -162.04 0.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.454 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.06 153.43 28.79 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.018 -0.364 . . . . 10.0 110.018 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 65.53 33.6 8.54 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.616 0.572 . . . . 10.0 110.891 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 71.2 m -90.17 152.14 21.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.263 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.59 124.79 51.03 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.517 -179.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -117.05 131.5 56.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.642 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.475 ' HD2' ' SD ' ' D' ' 467' ' ' MET . 53.7 m80 -92.42 118.32 30.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.002 -0.545 . . . . 10.0 109.605 179.411 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 54.9 tp -98.97 104.25 16.27 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.118 0.485 . . . . 10.0 110.657 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 94.0 t -90.3 108.61 19.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.949 -0.568 . . . . 10.0 109.954 179.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 86.2 mt -83.93 112.0 19.76 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.465 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.99 168.34 10.84 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.123 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 7.7 mp -115.76 154.42 29.63 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.868 0.366 . . . . 10.0 111.107 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.77 -18.11 31.9 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.781 -0.822 . . . . 10.0 108.781 178.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 177.93 169.14 38.49 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 109.983 -1.247 . . . . 10.0 109.983 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.604 -1.109 . . . . 10.0 112.478 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.476 0.863 0 CA-C-O 120.576 0.227 . . . . 10.0 110.602 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 64.77 17.73 11.11 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.564 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.4 -50.22 74.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.848 0.356 . . . . 10.0 111.536 -179.089 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -76.69 -37.9 55.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.86 0.362 . . . . 10.0 110.987 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.56 -45.64 92.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.187 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -61.47 -41.8 97.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 10.0 110.913 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.63 -44.14 97.04 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.913 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 62.6 mtm -69.58 -37.77 77.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.754 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.24 -41.84 96.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.704 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -64.11 -33.01 74.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.33 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -62.71 -40.06 95.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.011 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 92.7 mt -72.38 -32.82 43.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.099 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -61.16 -32.76 72.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.753 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -74.4 -17.99 60.73 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 116.244 -0.434 . . . . 10.0 111.028 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 467' ' ' MET . . . . . 0.475 ' SD ' ' HD2' ' B' ' 68' ' ' HIS . 67.3 mmm -95.67 -42.06 8.58 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.986 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 468' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -132.5 97.97 17.11 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.101 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -86.35 17.69 1.71 Allowed 'Trans proline' 0 CA--C 1.532 0.393 0 C-N-CA 122.496 2.131 . . . . 10.0 112.465 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -103.11 -1.17 29.55 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.864 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 471' ' ' VAL . . . . . . . . . . . . . 7.7 p -114.33 128.23 26.03 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.328 -0.396 . . . . 10.0 110.575 -179.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 472' ' ' PRO . . . . . 0.427 ' O ' HG23 ' D' ' 476' ' ' VAL . 32.1 Cg_exo -58.43 138.56 86.49 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.824 2.35 . . . . 10.0 112.508 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -54.44 -41.33 69.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.671 -0.695 . . . . 10.0 112.482 -178.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 37.8 p-80 -66.15 -30.25 70.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.633 0.254 . . . . 10.0 111.427 -178.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 22.7 mt -76.75 -35.91 57.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.657 0.265 . . . . 10.0 110.594 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 476' ' ' VAL . . . . . 0.427 HG23 ' O ' ' D' ' 472' ' ' PRO . 40.8 t -62.56 -40.9 89.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.314 0.578 . . . . 10.0 109.551 178.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . 0.454 ' O ' ' HG3' ' D' ' 481' ' ' GLN . 51.2 mt -65.85 -30.52 71.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.379 -0.828 . . . . 10.0 110.969 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -63.38 -54.11 41.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.376 -0.375 . . . . 10.0 110.916 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -65.2 -34.65 78.88 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.817 0.342 . . . . 10.0 110.297 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.94 -28.34 66.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.122 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 481' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' D' ' 477' ' ' LEU . 58.3 mt-30 -82.81 -25.86 32.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.104 0.478 . . . . 10.0 110.338 179.201 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -83.58 -56.63 3.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.674 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 483' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' D' ' 484' ' ' ARG . 61.9 p -87.61 -43.78 11.72 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.272 0.471 . . . . 10.0 112.272 -178.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 484' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' D' ' 483' ' ' THR . 8.9 mtm180 69.18 42.16 1.27 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.195 0.521 . . . . 10.0 110.789 -179.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 12.3 t -159.13 117.91 2.93 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.754 -0.657 . . . . 10.0 109.633 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 8.1 m -57.01 -37.59 55.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.66 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 487' ' ' GLU . . . . . 0.444 ' HA ' ' CD1' ' B' ' 8' ' ' LEU . 4.4 mp0 -61.42 -43.65 98.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.794 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 39.7 mt -74.14 -44.41 49.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.843 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 489' ' ' THR . . . . . 0.402 ' O ' HG13 ' D' ' 493' ' ' ILE . 95.7 m -57.13 -49.91 74.45 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.361 0.504 . . . . 10.0 112.361 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 4.8 m -60.34 -43.76 96.14 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.192 -0.203 . . . . 10.0 111.42 -179.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -68.68 -37.8 79.88 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.01 0.433 . . . . 10.0 109.912 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.6 -40.72 75.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.508 -0.769 . . . . 10.0 110.151 178.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 493' ' ' ILE . . . . . 0.402 HG13 ' O ' ' D' ' 489' ' ' THR . 76.9 mt -66.52 -42.28 89.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.848 178.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.63 -34.23 77.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.97 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -81.26 -3.82 53.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 10.0 111.401 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 79.37 29.27 50.22 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.926 -0.654 . . . . 10.0 113.787 179.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -76.31 -27.34 56.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.383 0.611 . . . . 10.0 109.548 178.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 4.5 mp -108.62 130.81 60.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.4 -0.818 . . . . 10.0 109.275 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -62.67 112.99 2.74 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.988 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 16.0 m -72.87 156.73 89.59 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.193 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -50.11 115.06 1.66 Allowed 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.885 2.39 . . . . 10.0 112.954 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -120.82 131.61 24.42 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.68 -0.691 . . . . 10.0 109.957 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -61.02 135.22 57.64 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.778 2.319 . . . . 10.0 112.362 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.245 -0.883 . . . . 10.0 110.334 -179.301 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.416 ' HB2' ' HB3' ' A' ' 63' ' ' LYS . 26.9 ptt? . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 109.99 -0.374 . . . . 10.0 109.99 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -91.33 134.9 34.21 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.169 0.509 . . . . 10.0 111.124 -179.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.3 pt -124.24 164.52 22.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.735 -0.666 . . . . 10.0 109.723 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.461 ' O ' ' HA ' ' A' ' 66' ' ' THR . 70.7 m-85 -114.6 131.45 56.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.941 0.401 . . . . 10.0 110.901 -179.367 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.9 t -114.62 127.54 72.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.915 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -98.58 132.77 43.73 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.294 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.2 p -108.32 165.6 11.38 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 110.081 -0.34 . . . . 10.0 110.081 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.4 mt -69.4 -10.36 57.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.819 0.342 . . . . 10.0 111.023 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.66 -3.45 52.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.172 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.87 15.92 69.04 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.801 -0.714 . . . . 10.0 112.54 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.437 ' HZ3' ' CD ' ' A' ' 34' ' ' GLU . 79.3 tttt -95.66 121.25 37.16 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.102 -0.333 . . . . 10.0 110.102 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 m -93.77 116.65 29.14 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.103 0.478 . . . . 10.0 110.33 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.9 mt -104.08 138.02 30.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.983 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.46 132.54 50.6 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.019 -0.734 . . . . 10.0 109.019 178.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.4 mt -136.76 147.67 46.81 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.378 0.51 . . . . 10.0 112.378 -178.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -93.47 115.8 28.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.391 -0.822 . . . . 10.0 109.597 179.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.3 m -135.47 172.39 15.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.135 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.428 ' O ' HD11 ' A' ' 56' ' ' LEU . 65.7 mm-40 -129.38 160.78 62.48 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 109.968 -0.382 . . . . 10.0 109.968 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -58.17 -32.03 94.75 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.432 2.088 . . . . 10.0 112.232 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.11 20.29 8.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.403 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -87.46 138.31 31.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.789 0.328 . . . . 10.0 110.274 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.41 ' O ' HG22 ' A' ' 26' ' ' VAL . 2.1 m -86.6 142.91 27.93 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.546 -179.512 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.2 mm -56.19 -39.2 57.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.1 0.476 . . . . 10.0 110.44 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -62.46 -30.35 71.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.644 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -77.36 -42.07 37.91 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.616 -0.513 . . . . 10.0 109.616 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 22' ' ' THR . 40.7 t -62.32 -36.44 74.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.695 178.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -60.07 -40.17 88.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.241 -0.89 . . . . 10.0 110.266 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.99 -31.0 70.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.403 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -66.57 -38.89 88.04 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.116 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.6 mt -71.0 -36.57 64.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -63.26 -35.61 80.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.414 -0.812 . . . . 10.0 110.512 179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -83.05 -12.24 57.34 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.979 -178.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -100.19 -43.12 6.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.825 0.345 . . . . 10.0 111.494 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.437 ' CD ' ' HZ3' ' A' ' 11' ' ' LYS . 72.0 mm-40 -99.01 -39.84 8.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.72 -179.065 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.86 11.14 38.32 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.552 -0.833 . . . . 10.0 111.652 -178.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.0 mt -85.39 125.33 70.03 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 115.678 -0.261 . . . . 10.0 110.778 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -56.87 143.12 92.4 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 122.78 2.32 . . . . 10.0 112.328 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -55.64 -29.79 72.12 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 123.151 2.567 . . . . 10.0 113.253 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -66.53 -33.51 75.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.51 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -91.82 -0.12 57.51 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.209 -178.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -94.59 101.44 13.32 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.365 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -110.17 100.24 9.18 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.96 -0.755 . . . . 10.0 108.96 178.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.31 134.6 34.11 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.198 0.523 . . . . 10.0 111.716 -178.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -128.2 136.72 59.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.542 -0.754 . . . . 10.0 109.421 179.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -132.16 118.63 19.83 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.934 -0.395 . . . . 10.0 109.934 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.8 21.83 11.9 Favored 'General case' 0 N--CA 1.464 0.236 0 O-C-N 123.556 0.535 . . . . 10.0 112.001 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.42 -28.02 16.78 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.698 -0.763 . . . . 10.0 112.902 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -89.16 142.03 28.0 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.283 -0.266 . . . . 10.0 110.283 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -81.41 136.86 35.72 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.783 0.325 . . . . 10.0 110.741 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.5 mt -85.63 115.21 23.18 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.795 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.527 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 31.0 mt-10 -75.36 148.14 39.5 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -55.69 -52.13 64.93 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.548 0.573 . . . . 10.0 112.548 -178.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.6 48.21 3.93 Favored Glycine 0 CA--C 1.521 0.413 0 C-N-CA 120.847 -0.692 . . . . 10.0 114.006 -178.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.527 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 23.1 mmt180 -133.08 160.61 36.69 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.969 -0.382 . . . . 10.0 109.969 179.19 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.19 154.26 19.97 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 179.397 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.428 HD11 ' O ' ' A' ' 18' ' ' GLU . 84.8 mt -60.15 -30.28 69.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.086 0.469 . . . . 10.0 110.781 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.89 -21.5 62.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.739 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -68.62 -38.12 80.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.967 0.413 . . . . 10.0 111.332 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -94.56 7.07 46.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.266 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.2 t30 61.93 39.43 13.53 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 115.384 -0.825 . . . . 10.0 111.163 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 69.4 mt -85.47 122.88 38.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.025 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -112.48 -167.23 1.16 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.266 -179.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.416 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 55.2 pttt -73.69 154.84 39.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.279 -0.419 . . . . 10.0 109.892 179.105 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 74.56 -16.63 0.53 Allowed 'General case' 0 N--CA 1.473 0.698 0 O-C-N 123.816 0.697 . . . . 10.0 111.975 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.7 m -57.86 141.4 49.29 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.968 0.413 . . . . 10.0 111.038 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.461 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 1.7 m -103.15 119.15 38.34 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.202 -179.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.1 mp -99.94 155.23 17.8 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.639 -0.71 . . . . 10.0 109.588 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -113.53 133.11 55.43 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.778 0.323 . . . . 10.0 110.719 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.7 tp -112.88 111.38 22.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 89.0 t -101.5 132.58 47.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.968 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.7 mt -89.03 135.97 33.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.36 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -99.46 108.58 21.08 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.722 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 88.5 mt -107.71 122.04 45.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.666 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -135.88 145.31 46.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.189 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 102.68 -10.68 56.12 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.942 -0.646 . . . . 10.0 112.2 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.942 -0.921 . . . . 10.0 111.111 179.79 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.627 0.251 . . . . 10.0 110.601 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -104.17 141.14 36.78 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.775 0.322 . . . . 10.0 110.969 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 20.9 pt -129.01 168.45 22.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.213 -0.449 . . . . 10.0 109.873 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.464 ' O ' ' HA ' ' B' ' 66' ' ' THR . 57.2 m-85 -121.78 117.23 26.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.972 0.415 . . . . 10.0 111.178 -179.328 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -96.35 123.94 48.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.079 -0.509 . . . . 10.0 109.813 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -102.18 129.59 48.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.889 -179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 34.2 p -108.54 157.44 18.46 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.835 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 47.7 mt -68.79 -14.87 63.3 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.075 0.464 . . . . 10.0 111.12 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.7 -9.94 59.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.161 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.83 28.81 20.19 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.755 -0.735 . . . . 10.0 112.239 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -116.18 130.7 56.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.572 0.225 . . . . 10.0 110.534 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.73 130.11 51.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.548 -0.297 . . . . 10.0 110.765 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 19.4 mt -115.13 132.53 64.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.673 -0.24 . . . . 10.0 110.863 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.7 m -104.14 105.6 15.82 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.161 -0.311 . . . . 10.0 110.161 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 93.6 mt -109.83 145.81 36.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.13 -179.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -91.82 122.17 34.11 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 15.0 m -138.47 173.28 12.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.391 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.507 ' O ' HD12 ' B' ' 56' ' ' LEU . 6.8 mm-40 -131.41 155.85 80.92 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 109.178 -0.675 . . . . 10.0 109.178 179.291 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.72 -27.28 60.63 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 122.449 2.099 . . . . 10.0 112.914 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.9 -2.37 58.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.704 -179.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -72.32 143.56 48.63 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.706 0.289 . . . . 10.0 110.359 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.445 ' O ' HG21 ' B' ' 26' ' ' VAL . 0.3 OUTLIER -89.4 147.29 24.12 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.537 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.425 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 42.4 mm -57.2 -40.2 72.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.294 0.568 . . . . 10.0 109.887 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -60.54 -36.29 78.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.249 -0.887 . . . . 10.0 110.763 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -71.51 -36.65 71.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.087 0.47 . . . . 10.0 109.767 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.445 HG21 ' O ' ' B' ' 22' ' ' THR . 47.5 t -62.26 -38.51 81.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.896 -0.593 . . . . 10.0 109.525 178.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' B' ' 23' ' ' ILE . 4.7 mmmm -59.9 -35.89 75.83 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.055 179.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.09 -36.19 81.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.295 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -68.2 -35.99 78.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.268 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.417 HG22 HD11 ' B' ' 69' ' ' LEU . 69.7 mt -69.67 -37.98 75.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 178.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.414 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 58.7 tt0 -69.2 -22.88 63.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.806 178.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -74.36 -28.53 61.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.067 178.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -93.07 -63.65 1.19 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.624 -0.716 . . . . 10.0 111.403 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -77.09 -47.47 20.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.266 -0.424 . . . . 10.0 111.341 -178.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 106.89 -12.56 41.55 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.731 -0.747 . . . . 10.0 112.278 -179.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 31.9 mt -62.55 129.6 92.82 Favored Pre-proline 0 C--N 1.327 -0.378 0 C-N-CA 122.307 0.243 . . . . 10.0 111.108 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -57.09 138.7 87.44 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 122.399 2.066 . . . . 10.0 111.792 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.73 -25.73 77.0 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.013 2.475 . . . . 10.0 112.638 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.32 -41.9 80.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.811 -0.632 . . . . 10.0 111.379 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -94.65 15.51 17.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.615 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -104.26 100.59 10.32 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.669 0.271 . . . . 10.0 111.264 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.426 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 47.4 mtp180 -97.41 112.42 24.26 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.521 -0.918 . . . . 10.0 108.521 178.449 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 46.3 mt -96.9 131.17 43.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.969 0.414 . . . . 10.0 111.903 -178.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mp -123.98 136.82 59.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.02 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -131.79 115.19 15.64 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.96 23.83 12.94 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.378 0.423 . . . . 10.0 111.494 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.18 -13.55 63.15 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.792 -0.718 . . . . 10.0 112.559 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -100.37 129.35 46.33 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.556 0.217 . . . . 10.0 110.452 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.19 139.09 46.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.174 0.512 . . . . 10.0 111.235 -179.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 24.9 mt -94.73 134.72 37.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.891 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -96.2 148.35 22.81 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.769 -0.456 . . . . 10.0 109.769 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -59.91 -44.38 94.32 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.243 0.46 . . . . 10.0 112.243 -178.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.01 48.89 3.63 Favored Glycine 0 CA--C 1.517 0.181 0 C-N-CA 121.212 -0.518 . . . . 10.0 113.5 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.468 ' HG3' ' OH ' ' B' ' 59' ' ' TYR . 16.2 mmt180 -143.66 162.74 35.16 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 179.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.463 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 46.9 p -106.65 163.73 12.66 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.244 -0.65 . . . . 10.0 109.244 178.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.507 HD12 ' O ' ' B' ' 18' ' ' GLU . 83.5 mt -61.63 -33.41 73.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.815 0.34 . . . . 10.0 110.799 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.5 m -69.57 -20.8 63.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 10.0 111.52 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.463 ' HB2' ' O ' ' B' ' 55' ' ' THR . 3.9 m-20 -63.57 -37.76 88.53 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.98 0.419 . . . . 10.0 111.028 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.468 ' OH ' ' HG3' ' B' ' 54' ' ' ARG . 87.2 m-85 -101.87 14.36 32.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.202 -179.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 63.23 23.78 14.01 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.037 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.6 mt -71.11 129.9 34.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.63 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -129.11 -159.2 0.94 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.311 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 5.0 pttt -70.76 153.55 42.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.573 -0.285 . . . . 10.0 110.958 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 64.35 14.9 9.11 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.622 -0.717 . . . . 10.0 112.401 178.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.6 m -76.53 140.83 41.3 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.975 -0.38 . . . . 10.0 109.975 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.464 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 32.1 m -98.52 118.95 36.37 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.095 0.474 . . . . 10.0 111.215 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 mp -101.07 120.44 40.21 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.576 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.527 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 43.4 m80 -86.45 119.54 26.82 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.462 -0.335 . . . . 10.0 110.387 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.417 HD11 HG22 ' B' ' 30' ' ' ILE . 0.5 OUTLIER -95.99 114.13 25.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.87 -179.72 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.426 ' HB ' ' HB2' ' B' ' 42' ' ' ARG . 86.5 t -108.7 131.04 60.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.033 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 96.1 mt -103.73 150.93 23.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.497 -0.32 . . . . 10.0 110.138 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -123.6 149.39 45.39 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.719 -179.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 5.7 mp -129.45 133.25 47.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.505 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 66.52 94.38 0.06 Allowed 'General case' 0 N--CA 1.464 0.261 0 O-C-N 123.755 0.659 . . . . 10.0 111.487 179.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -102.69 -43.66 1.93 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.679 -0.772 . . . . 10.0 111.953 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.283 0 CA-C-O 118.652 -1.082 . . . . 10.0 112.221 -179.926 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 120.405 0.145 . . . . 10.0 110.719 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 66.16 17.49 10.76 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.521 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.68 -42.45 99.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.849 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 -67.93 -34.86 77.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.471 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 74.4 mt -66.56 -45.09 80.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.263 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -64.37 -40.16 95.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.977 0.418 . . . . 10.0 110.476 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.39 -44.1 95.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.063 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 47.8 mtm -69.98 -41.12 74.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.14 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.16 -34.82 78.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.75 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.58 -34.46 72.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.913 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 463' ' ' GLN . . . . . 0.465 ' O ' ' HG2' ' D' ' 467' ' ' MET . 23.5 tp60 -70.3 -39.19 75.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.996 0.427 . . . . 10.0 109.901 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 51.4 mt -66.1 -31.19 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.428 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -64.99 -23.19 67.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.349 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -87.38 -14.29 41.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.285 179.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 467' ' ' MET . . . . . 0.527 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 49.1 mmm -91.85 -37.89 12.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.38 0.61 . . . . 10.0 109.676 179.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 468' ' ' PHE . . . . . 0.476 ' O ' HG13 ' D' ' 471' ' ' VAL . 5.7 m-85 -130.06 95.92 26.94 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.601 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -80.2 26.16 0.58 Allowed 'Trans proline' 0 CA--C 1.53 0.294 0 C-N-CA 122.516 2.144 . . . . 10.0 112.614 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -137.4 21.04 2.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.717 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 471' ' ' VAL . . . . . 0.476 HG13 ' O ' ' D' ' 468' ' ' PHE . 14.1 p -120.03 131.27 24.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.05 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 472' ' ' PRO . . . . . 0.4 ' O ' HG23 ' D' ' 476' ' ' VAL . 32.4 Cg_exo -59.98 121.78 10.36 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.572 2.182 . . . . 10.0 112.405 179.165 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -53.05 -40.13 63.73 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.809 -0.632 . . . . 10.0 112.167 -179.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -68.22 -23.34 64.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.604 0.24 . . . . 10.0 111.638 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 475' ' ' LEU . . . . . 0.499 ' O ' ' HB3' ' D' ' 478' ' ' GLN . 22.6 mt -84.94 -26.77 26.99 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.634 -0.506 . . . . 10.0 109.634 179.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 476' ' ' VAL . . . . . 0.4 HG23 ' O ' ' D' ' 472' ' ' PRO . 53.5 t -68.86 -42.62 82.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 108.912 -0.773 . . . . 10.0 108.912 178.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . 0.461 ' O ' ' HG3' ' D' ' 481' ' ' GLN . 63.1 mt -62.12 -27.9 69.25 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.451 -0.795 . . . . 10.0 110.346 178.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 478' ' ' GLN . . . . . 0.499 ' HB3' ' O ' ' D' ' 475' ' ' LEU . 0.0 OUTLIER -62.37 -52.84 61.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.702 -0.681 . . . . 10.0 111.039 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -65.83 -33.99 77.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.61 -179.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.33 -27.69 67.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.66 179.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 481' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' D' ' 477' ' ' LEU . 58.3 mt-30 -89.79 -3.23 58.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.46 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -107.49 -58.4 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.431 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 82.6 p -87.19 -35.37 18.61 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.488 -0.324 . . . . 10.0 111.443 -179.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? 65.71 21.19 11.59 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.68 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.44 112.77 7.16 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.827 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 16.7 m -52.75 -31.0 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 115.941 -0.572 . . . . 10.0 112.237 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -60.98 -54.26 47.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.037 0.446 . . . . 10.0 110.217 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 22.5 mt -67.55 -34.08 66.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.292 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 489' ' ' THR . . . . . 0.461 ' O ' HG13 ' D' ' 493' ' ' ILE . 87.2 m -60.16 -49.84 76.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.745 -0.661 . . . . 10.0 111.197 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 1.9 m -68.42 -34.73 76.53 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.764 -179.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 491' ' ' ASP . . . . . 0.46 ' O ' ' HG2' ' D' ' 495' ' ' GLU . 18.1 t70 -65.76 -44.16 86.69 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.933 -0.766 . . . . 10.0 108.933 178.271 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -56.23 -36.46 68.5 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.215 -0.902 . . . . 10.0 110.47 178.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 493' ' ' ILE . . . . . 0.461 HG13 ' O ' ' D' ' 489' ' ' THR . 89.9 mt -64.02 -44.45 97.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.036 179.215 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.82 -28.81 67.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.001 0.429 . . . . 10.0 110.566 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 495' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' D' ' 491' ' ' ASP . 33.4 mm-40 -76.68 -20.98 56.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.776 -0.647 . . . . 10.0 111.329 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 95.19 24.56 16.39 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.453 -0.88 . . . . 10.0 112.298 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -71.62 -37.36 70.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.559 0.695 . . . . 10.0 109.32 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 4.1 mp -100.68 122.8 53.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.079 -0.964 . . . . 10.0 109.265 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -68.93 125.08 25.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.965 0.412 . . . . 10.0 111.01 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 16.1 m -76.96 156.95 82.11 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.532 -0.758 . . . . 10.0 110.393 179.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -61.14 109.2 0.67 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.681 2.254 . . . . 10.0 112.146 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -108.81 131.35 21.84 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.68 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -67.32 108.98 1.67 Allowed 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.486 2.124 . . . . 10.0 112.297 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 11.4 t . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.057 -0.973 . . . . 10.0 109.466 179.533 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.483 1.194 0 N-CA-C 110.334 -0.247 . . . . 10.0 110.334 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -111.7 143.43 42.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.363 -0.38 . . . . 10.0 111.317 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.2 pt -129.96 162.59 37.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 178.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -122.64 116.25 23.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.928 0.394 . . . . 10.0 111.393 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 63.0 t -100.89 121.05 51.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.8 -0.636 . . . . 10.0 110.036 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.7 mttp -98.99 131.96 44.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.868 0.366 . . . . 10.0 110.909 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.8 p -94.78 171.69 8.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.189 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 52.6 mt -65.82 -28.1 68.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.89 0.376 . . . . 10.0 110.811 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.409 HG22 HE21 ' D' ' 465' ' ' GLN . 1.9 m -74.94 -27.88 60.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.94 -0.573 . . . . 10.0 111.131 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.71 -16.27 10.38 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.805 -0.712 . . . . 10.0 111.731 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.499 ' HZ3' ' CD ' ' A' ' 34' ' ' GLU . 69.9 tttt -61.49 127.76 33.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.669 -0.265 . . . . 10.0 110.784 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -106.35 121.73 44.82 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.367 -0.379 . . . . 10.0 110.178 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mt -100.65 133.06 45.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.551 -178.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.22 129.39 38.18 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.894 -0.594 . . . . 10.0 109.569 178.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.3 mt -131.46 133.42 45.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.862 0.363 . . . . 10.0 111.533 -179.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -94.36 108.79 20.68 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.196 -0.668 . . . . 10.0 109.196 178.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.5 m -138.09 172.65 13.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.266 -0.424 . . . . 10.0 110.895 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -124.22 155.57 67.89 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_exo -53.49 -24.83 29.89 Favored 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 122.97 2.447 . . . . 10.0 113.889 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.52 0.08 57.47 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.472 0.545 . . . . 10.0 112.472 -178.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -74.0 143.74 45.44 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.681 -0.408 . . . . 10.0 110.162 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.6 m -84.02 141.01 31.49 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.777 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.4 mm -54.43 -40.83 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.28 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -61.89 -30.08 70.64 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.914 0.388 . . . . 10.0 110.723 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -75.52 -29.51 59.5 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.429 -0.582 . . . . 10.0 109.429 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.0 t -67.7 -39.22 81.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.135 -0.691 . . . . 10.0 109.135 178.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -61.94 -36.24 80.81 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.561 -0.745 . . . . 10.0 109.769 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.22 -37.9 89.05 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.591 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.2 mtmm -66.34 -42.61 87.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.174 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 60.0 mt -66.4 -36.16 76.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.508 0.67 . . . . 10.0 109.63 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -67.81 -29.54 68.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.553 -0.749 . . . . 10.0 110.419 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -81.17 -33.51 33.0 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.494 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -87.61 -47.0 9.04 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.218 0.451 . . . . 10.0 112.218 -179.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.499 ' CD ' ' HZ3' ' A' ' 11' ' ' LYS . 55.9 mm-40 -92.45 -32.95 14.71 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.025 0.38 . . . . 10.0 112.025 -178.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.42 10.66 61.82 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.497 -0.859 . . . . 10.0 112.466 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.4 mt -83.8 126.13 71.47 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 110.471 -0.196 . . . . 10.0 110.471 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -55.95 138.63 82.81 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.856 2.371 . . . . 10.0 112.15 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.8 -32.38 76.55 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.997 2.465 . . . . 10.0 112.969 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.57 -21.63 66.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.951 -179.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -102.35 0.9 34.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.673 0.273 . . . . 10.0 111.18 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -93.73 131.72 38.8 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.067 -179.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 65.4 mtt180 -135.61 102.86 5.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.226 178.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.8 mt -93.57 123.37 36.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.675 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mp -123.17 137.4 56.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.064 -0.517 . . . . 10.0 110.064 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -135.02 114.82 12.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.348 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.97 33.02 10.11 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.782 -0.644 . . . . 10.0 111.368 179.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.33 -7.94 73.53 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.981 -0.628 . . . . 10.0 112.896 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -99.73 128.31 45.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.887 0.375 . . . . 10.0 111.01 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.38 116.75 19.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.872 -0.604 . . . . 10.0 109.376 179.326 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.3 mt -64.23 127.9 33.45 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.008 -178.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.466 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 12.9 mt-10 -83.6 138.51 33.33 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.271 -0.64 . . . . 10.0 109.271 178.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -60.71 -21.0 62.44 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.275 0.472 . . . . 10.0 112.275 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.03 34.94 5.0 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.682 -0.771 . . . . 10.0 113.479 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.466 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 17.4 mmt180 -132.59 174.33 10.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.914 0.357 . . . . 10.0 110.436 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.0 p -112.98 -179.3 3.61 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.079 -0.711 . . . . 10.0 109.079 178.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.8 mt -73.5 -33.24 64.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.982 0.42 . . . . 10.0 110.808 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.4 m -75.07 -10.27 59.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.289 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.18 -31.72 70.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.051 0.453 . . . . 10.0 110.477 179.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -111.88 9.95 20.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.501 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 61.32 50.87 4.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.38 -0.827 . . . . 10.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 73.1 mt -89.95 112.16 24.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.22 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -88.4 -173.47 4.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.706 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 57.3 pttt -76.1 150.99 37.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.478 -0.328 . . . . 10.0 110.936 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 63.52 24.29 13.99 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.617 -0.719 . . . . 10.0 111.94 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.8 m -79.92 153.21 29.13 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.304 -0.258 . . . . 10.0 110.304 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.7 m -97.22 118.0 32.68 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.626 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -106.72 130.49 54.43 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.271 -0.64 . . . . 10.0 109.271 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.5 123.52 36.86 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.551 0.215 . . . . 10.0 110.544 -179.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.3 tp -106.83 109.11 20.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.694 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 63.7 t -98.18 132.05 43.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.171 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 94.9 mt -81.47 127.36 32.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.441 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 52.0 ttt180 -101.09 106.85 18.15 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.811 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.1 mt -92.83 133.96 35.55 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.234 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.0 ttt-85 -133.0 101.43 5.23 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.715 -0.476 . . . . 10.0 109.715 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.07 52.67 2.02 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.76 -0.733 . . . . 10.0 112.006 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.469 ' C ' ' HZ3' ' B' ' 48' ' ' LYS . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.087 -1.396 . . . . 10.0 111.422 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 120.859 0.362 . . . . 10.0 110.071 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -100.42 133.92 44.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.934 0.397 . . . . 10.0 110.97 -179.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 19.2 pt -119.74 160.44 19.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.092 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -109.27 114.5 28.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.883 0.373 . . . . 10.0 111.057 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 44.0 t -100.06 119.57 48.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.75 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 6.8 mttp -97.53 128.21 44.09 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.952 -179.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 19.1 p -102.8 160.24 14.77 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.065 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 56.1 mt -64.94 -14.66 60.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.0 0.428 . . . . 10.0 111.41 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.25 -16.37 40.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.783 179.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.88 11.23 47.23 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.987 -0.625 . . . . 10.0 112.855 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -93.0 133.34 36.23 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 122.708 -0.29 . . . . 10.0 110.443 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -100.99 115.15 29.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.404 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 7.4 mt -96.29 132.38 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.501 -0.318 . . . . 10.0 110.613 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.77 124.82 46.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.073 179.399 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 67.5 mt -126.94 140.2 52.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.265 -179.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -93.64 103.99 16.12 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.744 -0.836 . . . . 10.0 108.744 178.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 16.9 m -129.39 164.55 31.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.092 -178.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.493 ' O ' HD12 ' B' ' 56' ' ' LEU . 10.9 mm-40 -124.03 157.46 63.64 Favored Pre-proline 0 C--N 1.32 -0.68 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 179.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -55.96 -23.17 41.83 Favored 'Trans proline' 0 CA--C 1.531 0.368 0 C-N-CA 122.408 2.072 . . . . 10.0 112.691 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.95 4.93 46.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.307 -0.406 . . . . 10.0 112.059 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -81.42 153.09 27.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.886 0.374 . . . . 10.0 110.795 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m -99.53 146.96 25.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.737 -178.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.449 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 40.0 mm -56.58 -42.04 75.01 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.118 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -59.62 -35.52 74.52 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.865 0.364 . . . . 10.0 111.133 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -68.88 -35.36 76.79 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.682 -0.488 . . . . 10.0 109.682 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 44.2 t -64.15 -40.62 89.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.491 ' HE3' ' O ' ' B' ' 41' ' ' GLN . 5.5 mmmm -59.43 -44.56 92.88 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.567 -0.742 . . . . 10.0 109.462 178.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.82 -36.2 82.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.287 -0.87 . . . . 10.0 110.932 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -68.03 -42.27 80.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.384 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 73.0 mt -67.21 -34.21 67.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.595 0.712 . . . . 10.0 109.385 178.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -67.08 -34.52 77.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.159 -0.928 . . . . 10.0 110.494 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -79.5 -30.29 41.9 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.918 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 43.3 mttt -82.22 -52.76 6.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.522 -0.308 . . . . 10.0 111.608 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -88.83 -53.69 4.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.856 0.36 . . . . 10.0 111.115 -178.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.23 7.06 10.37 Favored Glycine 0 CA--C 1.517 0.167 0 C-N-CA 120.781 -0.723 . . . . 10.0 112.472 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 21.1 mt -86.81 126.31 63.94 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 122.827 -0.219 . . . . 10.0 110.72 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -57.96 143.7 95.65 Favored 'Trans proline' 0 CA--C 1.532 0.416 0 C-N-CA 122.662 2.241 . . . . 10.0 112.181 179.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -58.89 -24.63 73.44 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.894 2.396 . . . . 10.0 113.396 -179.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.57 -22.84 63.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 10.0 111.362 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -103.21 0.62 31.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.07 0.462 . . . . 10.0 110.404 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.491 ' O ' ' HE3' ' B' ' 27' ' ' LYS . 67.0 mt-30 -94.28 113.9 25.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.747 -0.661 . . . . 10.0 111.172 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.436 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 2.7 ttt180 -113.12 108.47 17.35 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.739 -0.837 . . . . 10.0 108.739 178.057 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 25.0 mt -94.39 126.58 39.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.006 0.432 . . . . 10.0 111.757 -177.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.537 HG23 ' CZ ' ' D' ' 468' ' ' PHE . 1.6 mp -120.87 133.2 68.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.615 -0.72 . . . . 10.0 110.447 179.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -133.05 126.05 30.98 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.055 -0.72 . . . . 10.0 109.055 178.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.96 34.17 16.93 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.288 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.2 24.88 70.05 Favored Glycine 0 CA--C 1.52 0.395 0 CA-C-N 116.061 -0.518 . . . . 10.0 113.779 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.469 ' HZ3' ' C ' ' A' ' 76' ' ' GLY . 31.6 mtmm -141.45 152.25 44.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.82 0.31 . . . . 10.0 110.399 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.09 135.51 33.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.018 0.437 . . . . 10.0 110.98 -179.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 31.3 mt -91.89 147.69 22.78 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.17 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -99.54 142.55 30.87 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.505 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.2 -21.99 65.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.858 -0.61 . . . . 10.0 112.094 -179.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.03 30.19 7.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 10.0 113.328 -179.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 33.0 mmt-85 -129.62 161.38 30.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 117.004 0.402 . . . . 10.0 110.178 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.06 162.35 13.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.317 179.421 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.493 HD12 ' O ' ' B' ' 18' ' ' GLU . 86.8 mt -63.67 -24.23 67.7 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.808 0.337 . . . . 10.0 111.277 -179.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.89 -33.34 59.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.827 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -60.06 -45.88 91.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.81 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -83.75 -1.29 53.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.065 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 59.39 39.43 22.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.7 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 56.2 mt -72.63 108.63 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.196 -0.456 . . . . 10.0 109.934 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -91.22 -174.61 4.01 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.383 -179.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.99 156.51 36.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.355 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 64.81 12.67 7.9 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 122.921 0.488 . . . . 10.0 111.985 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 18.9 m -81.76 160.57 23.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.799 0.333 . . . . 10.0 110.113 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 2.7 m -117.89 131.41 56.53 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.014 0.435 . . . . 10.0 111.637 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -112.93 131.97 55.52 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.873 -0.788 . . . . 10.0 108.873 178.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -92.84 124.16 36.63 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.723 0.296 . . . . 10.0 110.374 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.4 tp -102.78 107.52 18.41 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.106 0.479 . . . . 10.0 110.159 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.436 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 51.1 t -102.49 140.05 21.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.644 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 79.2 mt -109.52 155.62 21.14 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 179.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.4 164.8 28.9 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.872 0.368 . . . . 10.0 111.291 -179.256 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.8 mp -128.48 119.71 25.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.325 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -117.58 13.11 14.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.701 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 116.99 -14.92 13.76 Favored Glycine 0 N--CA 1.449 -0.459 0 N-CA-C 111.105 -0.798 . . . . 10.0 111.105 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.887 -0.952 . . . . 10.0 111.055 179.736 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 110.7 -0.111 . . . . 10.0 110.7 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 60.37 17.1 6.84 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 122.72 0.408 . . . . 10.0 111.646 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.72 -49.18 74.07 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.695 -178.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -69.51 -36.62 76.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.096 0.474 . . . . 10.0 110.403 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 79.7 mt -65.57 -37.79 87.67 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.996 -0.547 . . . . 10.0 109.96 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -63.4 -41.97 98.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.056 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -66.99 -41.46 86.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.776 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 3.2 mtm -65.51 -41.35 93.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.745 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.38 -42.99 95.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.625 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -61.94 -34.95 77.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.925 -0.579 . . . . 10.0 110.631 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -61.42 -37.16 82.49 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.135 0.493 . . . . 10.0 110.077 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 72.2 mt -75.83 -40.9 39.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.987 -0.551 . . . . 10.0 109.635 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 465' ' ' GLN . . . . . 0.409 HE21 HG22 ' A' ' 9' ' ' THR . 33.5 tp60 -59.16 -35.41 73.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.89 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -64.14 -18.09 64.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.494 -0.776 . . . . 10.0 111.568 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 47.5 mtm -107.75 -39.86 5.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.688 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 468' ' ' PHE . . . . . 0.537 ' CZ ' HG23 ' B' ' 44' ' ' ILE . 96.4 m-85 -119.17 85.75 30.83 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.716 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -84.27 12.82 2.91 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.895 2.397 . . . . 10.0 111.942 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -103.79 10.29 36.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.923 -0.58 . . . . 10.0 111.165 -179.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 471' ' ' VAL . . . . . 0.412 HG13 ' O ' ' D' ' 468' ' ' PHE . 7.2 p -123.39 134.21 25.06 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.088 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 472' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.42 122.18 11.26 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.617 2.211 . . . . 10.0 112.504 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -51.03 -42.93 60.79 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.679 -0.692 . . . . 10.0 112.705 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 27.2 p-80 -64.71 -26.03 68.2 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.833 0.309 . . . . 10.0 111.833 -179.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 31.3 mt -79.04 -31.98 44.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.818 0.342 . . . . 10.0 110.427 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 40.6 t -65.72 -41.76 91.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 178.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 16.0 mt -66.46 -19.44 65.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.352 -0.84 . . . . 10.0 110.806 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -73.38 -50.93 19.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.43 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -68.02 -33.73 75.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.851 0.358 . . . . 10.0 110.16 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.55 -25.73 66.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.056 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -91.66 -5.74 53.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 10.0 110.942 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -103.91 -56.5 2.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.901 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 65.9 p -86.17 -39.64 16.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.079 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 61.33 34.6 18.4 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.754 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -152.33 112.95 4.13 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 5.6 m -52.53 -34.18 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 O-C-N 123.411 0.445 . . . . 10.0 111.99 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -59.59 -47.84 83.98 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.001 0.429 . . . . 10.0 110.709 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 488' ' ' ILE . . . . . 0.427 ' O ' ' HB2' ' D' ' 492' ' ' ASN . 15.4 mt -74.77 -42.95 47.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.981 -179.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 78.5 m -54.46 -52.62 61.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.795 -0.639 . . . . 10.0 112.664 -178.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 2.4 m -60.61 -44.65 96.05 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.131 0.419 . . . . 10.0 112.131 -178.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -68.43 -36.8 79.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.067 0.461 . . . . 10.0 109.944 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 492' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' D' ' 488' ' ' ILE . 1.0 OUTLIER -57.43 -45.69 84.38 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.538 -0.756 . . . . 10.0 110.169 179.062 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 73.3 mt -66.34 -44.42 90.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.532 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.02 -31.27 72.43 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.311 -179.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -75.24 -28.59 59.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.332 . . . . 10.0 111.388 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 110.73 21.67 6.68 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.741 -0.742 . . . . 10.0 112.964 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 -72.74 -34.54 67.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.265 0.555 . . . . 10.0 109.589 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 3.2 mp -99.95 137.87 26.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.293 -0.867 . . . . 10.0 109.03 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -64.68 111.02 2.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.071 0.462 . . . . 10.0 111.993 -179.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 30.4 m -75.7 151.86 84.88 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.312 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.94 120.74 8.41 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.707 2.272 . . . . 10.0 112.744 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 502' ' ' PHE . . . . . 0.439 ' CG ' ' HD2' ' D' ' 503' ' ' PRO . 0.2 OUTLIER -136.76 149.82 68.12 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.678 -0.692 . . . . 10.0 109.404 -179.552 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 503' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' D' ' 502' ' ' PHE . 9.3 Cg_endo -54.31 120.42 7.97 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.75 2.3 . . . . 10.0 111.947 179.212 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--O 1.25 1.09 0 CA-C-O 117.704 -1.141 . . . . 10.0 109.826 -179.542 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 110.345 -0.242 . . . . 10.0 110.345 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -110.19 139.58 45.21 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.556 -0.293 . . . . 10.0 110.606 -179.697 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.0 pt -125.06 160.53 30.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.968 -0.382 . . . . 10.0 109.968 178.747 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 66' ' ' THR . 71.8 m-85 -115.13 114.02 24.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.91 0.386 . . . . 10.0 110.851 -179.224 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 59.1 t -106.2 116.46 50.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.108 -0.496 . . . . 10.0 109.72 179.328 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.8 tttp -102.44 133.6 47.12 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.969 0.414 . . . . 10.0 110.45 -179.529 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.4 p -95.8 170.55 9.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.345 179.639 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.69 -4.78 21.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 10.0 111.497 -179.757 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 39.9 p -97.31 -1.61 44.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.218 0.532 . . . . 10.0 110.691 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.96 -19.25 53.18 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.771 -0.65 . . . . 10.0 112.019 -179.809 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp -64.94 119.56 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.036 0.446 . . . . 10.0 110.648 -179.72 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.6 m -102.08 126.05 48.92 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.128 -179.867 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.7 mt -112.02 138.34 41.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.017 -178.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 m -102.38 131.17 49.18 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.754 -0.832 . . . . 10.0 108.754 178.316 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.7 mt -123.88 145.39 49.15 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.101 0.408 . . . . 10.0 112.101 -178.439 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -92.33 108.3 19.85 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.413 -0.958 . . . . 10.0 108.413 178.221 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.0 m -135.07 168.85 22.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.188 0.518 . . . . 10.0 111.547 -178.602 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.551 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 76.7 mm-40 -129.7 159.46 69.56 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 108.869 -0.789 . . . . 10.0 108.869 178.87 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -56.05 -28.29 68.8 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 122.279 1.986 . . . . 10.0 112.337 179.539 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.53 9.39 13.67 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.89 -0.596 . . . . 10.0 111.529 -179.809 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.551 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 1.8 m-20 -88.61 139.17 30.74 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.927 0.394 . . . . 10.0 110.108 179.671 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -94.7 155.42 16.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.421 179.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.3 mm -57.31 -38.8 64.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.829 -0.434 . . . . 10.0 109.829 179.718 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -59.24 -44.82 92.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.509 -0.769 . . . . 10.0 110.226 178.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.439 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 9.7 t-20 -66.73 -38.63 87.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.505 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.1 t -64.14 -40.42 89.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.389 179.514 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -63.37 -34.5 77.87 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.091 179.195 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.29 -31.73 72.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.516 179.157 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 61.2 mttt -68.67 -37.71 79.83 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.629 -0.508 . . . . 10.0 109.629 178.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 63.8 mt -72.06 -33.75 48.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-O 121.26 0.552 . . . . 10.0 109.847 178.795 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -64.76 -37.37 87.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.492 -0.776 . . . . 10.0 110.885 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -81.31 -26.83 35.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.074 0.464 . . . . 10.0 110.99 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -78.7 -56.17 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.454 -179.457 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -94.85 -51.5 4.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.876 0.369 . . . . 10.0 111.442 -178.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.19 2.36 10.06 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.023 -0.608 . . . . 10.0 112.263 -179.304 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.9 mt -75.46 124.93 89.22 Favored Pre-proline 0 C--N 1.327 -0.392 0 O-C-N 122.905 -0.173 . . . . 10.0 110.878 -179.77 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -62.33 137.5 65.85 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.692 2.261 . . . . 10.0 112.003 179.565 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -57.95 -21.6 50.42 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.008 2.472 . . . . 10.0 112.805 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -68.98 -25.62 64.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.363 0.601 . . . . 10.0 110.277 179.279 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -107.23 9.34 30.16 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.696 -179.447 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -99.56 115.99 30.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.246 -179.624 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -118.1 100.63 7.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.809 0.338 . . . . 10.0 110.114 178.644 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 36.0 mt -88.7 132.27 34.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.048 -179.554 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -125.21 132.77 70.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.585 179.528 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -132.67 126.4 32.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.076 179.674 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.84 28.39 15.94 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.083 0.468 . . . . 10.0 111.641 179.433 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.26 -4.03 86.38 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.967 -0.635 . . . . 10.0 113.157 179.568 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -106.25 132.09 52.71 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.055 0.455 . . . . 10.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -75.77 129.36 36.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.769 -0.65 . . . . 10.0 109.454 179.397 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.8 mt -80.02 147.29 31.58 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.343 -0.389 . . . . 10.0 110.461 -179.629 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -89.58 -144.47 0.16 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.015 -0.538 . . . . 10.0 109.748 179.395 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.5 -59.83 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.656 -0.418 . . . . 10.0 111.8 -179.188 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.32 44.9 3.26 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.99 -0.624 . . . . 10.0 113.153 -178.672 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -125.3 151.96 45.31 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.642 -0.503 . . . . 10.0 109.642 179.862 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.2 p -93.97 165.15 12.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.665 0.269 . . . . 10.0 110.397 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.9 mt -64.74 -33.48 76.08 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.003 0.43 . . . . 10.0 110.563 179.739 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.81 -23.4 66.04 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.056 179.35 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -66.83 -25.29 66.36 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.0 0.429 . . . . 10.0 110.909 179.866 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -110.75 7.69 22.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.83 -179.873 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.8 t30 64.97 31.71 11.09 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.397 -0.82 . . . . 10.0 111.287 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 93.1 mt -79.02 119.57 28.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 109.2 -0.667 . . . . 10.0 109.2 179.129 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -113.7 -164.57 0.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.228 0.537 . . . . 10.0 111.427 -178.46 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.1 pttt -68.41 140.06 55.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.675 -0.693 . . . . 10.0 111.691 -179.449 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 57.46 44.54 21.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.26 -0.882 . . . . 10.0 112.282 179.28 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.5 m -98.61 143.83 28.57 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 178.368 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 22.6 m -95.05 121.63 36.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.228 0.537 . . . . 10.0 111.691 -179.413 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -113.11 147.37 37.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.514 -0.766 . . . . 10.0 109.105 179.092 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -108.86 134.63 51.28 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.848 0.356 . . . . 10.0 110.736 179.702 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.8 tp -111.75 110.43 20.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.989 -0.551 . . . . 10.0 111.008 -179.789 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.6 t -94.58 133.7 34.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.02 179.674 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.0 mt -82.27 130.95 35.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.874 -179.631 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 72' ' ' ARG . 27.4 ttt180 -114.17 109.41 18.37 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.915 0.388 . . . . 10.0 110.675 179.817 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.6 mt -98.87 136.25 39.15 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 110.069 -0.345 . . . . 10.0 110.069 179.724 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 74' ' ' ARG . 11.2 ttp180 -141.13 111.39 6.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.67 -151.7 22.61 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.814 -0.708 . . . . 10.0 112.897 179.12 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.435 ' C ' ' HZ3' ' B' ' 48' ' ' LYS . . . . . . . . 0 C--O 1.246 0.865 0 CA-C-O 118.529 -1.151 . . . . 10.0 112.193 179.857 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.479 1.012 0 N-CA-C 110.117 -0.327 . . . . 10.0 110.117 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -110.01 139.51 45.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.739 -179.621 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.6 pt -127.18 158.4 38.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.738 178.79 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -115.64 115.08 25.77 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.648 -0.251 . . . . 10.0 110.641 -179.585 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -98.99 121.13 49.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 110.19 -0.3 . . . . 10.0 110.19 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 39.2 tttp -97.88 139.23 34.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.639 -0.255 . . . . 10.0 110.483 -179.288 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 41.6 p -117.16 172.9 6.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.228 -179.643 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 40.4 mt -82.29 -4.08 56.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.123 179.731 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.13 7.07 46.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.142 0.496 . . . . 10.0 110.573 179.786 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.27 37.61 71.29 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.813 -0.631 . . . . 10.0 112.265 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -128.62 110.67 12.45 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.796 0.331 . . . . 10.0 110.869 -179.496 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 20.3 m -87.11 123.67 32.42 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.411 -0.588 . . . . 10.0 109.411 178.694 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 37.1 mt -103.69 136.69 35.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.404 -179.017 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.37 134.0 36.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.011 -0.541 . . . . 10.0 109.659 178.318 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 18.0 mt -134.61 131.41 37.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.848 0.356 . . . . 10.0 111.569 -179.788 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -88.5 105.83 17.88 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.06 178.306 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 29.6 m -136.45 169.9 19.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.378 -179.684 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.429 ' O ' HD12 ' B' ' 56' ' ' LEU . 5.7 mm-40 -126.18 157.83 68.55 Favored Pre-proline 0 C--N 1.317 -0.809 0 N-CA-C 108.496 -0.927 . . . . 10.0 108.496 178.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -56.57 -23.86 50.66 Favored 'Trans proline' 0 CA--C 1.529 0.266 0 C-N-CA 122.14 1.893 . . . . 10.0 111.946 179.677 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.63 -3.63 53.97 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.568 -0.742 . . . . 10.0 112.185 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -78.54 147.96 33.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.919 0.39 . . . . 10.0 110.186 -179.795 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.1 m -93.66 145.23 24.71 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.772 -179.394 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.8 mm -52.66 -39.95 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-O 120.969 0.414 . . . . 10.0 110.963 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -58.11 -39.07 77.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.635 -0.711 . . . . 10.0 111.236 179.565 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -76.03 -33.73 59.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.82 0.343 . . . . 10.0 110.787 -179.808 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.13 -52.05 65.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.728 179.751 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -68.42 -26.61 65.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.387 179.823 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.91 -30.21 69.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.174 0.511 . . . . 10.0 109.873 178.736 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -71.87 -36.1 69.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.705 -0.68 . . . . 10.0 109.549 178.787 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 66.3 mt -69.48 -31.07 47.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 N-CA-C 108.781 -0.822 . . . . 10.0 108.781 178.176 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.508 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 8.0 tt0 -67.41 -23.87 65.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.979 -1.009 . . . . 10.0 109.861 178.662 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -87.55 -38.14 16.26 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.554 179.631 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -75.0 -57.57 3.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.386 -179.674 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -88.55 -47.44 8.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.854 0.359 . . . . 10.0 110.994 -179.022 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.508 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 114.17 -4.17 23.77 Favored Glycine 0 N--CA 1.454 -0.122 0 C-N-CA 120.456 -0.878 . . . . 10.0 112.485 -179.775 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 35.0 mt -65.07 125.81 89.98 Favored Pre-proline 0 C--N 1.324 -0.51 0 C-N-CA 122.287 0.235 . . . . 10.0 111.167 -179.461 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.29 144.62 95.67 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.78 2.32 . . . . 10.0 112.258 179.56 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -60.94 -24.53 79.62 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.774 2.316 . . . . 10.0 113.122 -179.475 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -65.53 -45.34 83.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.04 0.448 . . . . 10.0 111.299 -179.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -78.11 -14.93 59.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.64 -178.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -82.83 111.62 18.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.149 -0.478 . . . . 10.0 112.122 -178.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -113.18 113.08 24.84 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.926 -0.768 . . . . 10.0 108.926 178.218 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 41.1 mt -91.07 116.53 28.88 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.869 0.366 . . . . 10.0 111.295 -178.288 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -112.58 137.38 45.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.277 179.643 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -134.46 124.37 25.5 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.037 -0.727 . . . . 10.0 109.037 178.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.09 13.96 6.17 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.089 -0.505 . . . . 10.0 112.097 179.516 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.7 -3.87 39.41 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.651 -0.785 . . . . 10.0 113.739 179.349 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.435 ' HZ3' ' C ' ' A' ' 76' ' ' GLY . 33.7 mtmm -119.89 157.82 27.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 117.442 0.621 . . . . 10.0 110.488 179.931 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -88.53 144.77 26.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.321 0.581 . . . . 10.0 111.578 -178.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 19.8 mt -95.88 139.38 32.17 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.429 -0.805 . . . . 10.0 109.722 179.25 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.47 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 1.9 mt-10 -80.47 139.68 36.3 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.574 -0.528 . . . . 10.0 109.574 179.674 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.44 -40.13 74.27 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.286 0.476 . . . . 10.0 112.286 -179.101 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.39 46.33 3.2 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.84 -0.695 . . . . 10.0 113.235 -179.222 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.47 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 34.1 mmt180 -133.57 162.0 33.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.907 0.354 . . . . 10.0 110.425 179.399 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.09 160.47 14.61 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.993 179.395 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.429 HD12 ' O ' ' B' ' 18' ' ' GLU . 96.7 mt -62.49 -35.28 78.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.86 0.362 . . . . 10.0 110.895 -179.548 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.16 -20.99 66.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.706 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -66.66 -32.85 74.43 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.834 0.349 . . . . 10.0 110.958 -179.331 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -105.02 9.22 34.5 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.824 0.345 . . . . 10.0 110.21 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 63.89 32.18 13.42 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.557 -0.747 . . . . 10.0 111.265 -179.847 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 67.0 mt -77.79 107.47 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.122 0.487 . . . . 10.0 110.033 179.58 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -97.05 -165.43 1.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.616 -0.72 . . . . 10.0 111.327 -179.172 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 31.1 pttt -76.29 152.02 36.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.771 -0.65 . . . . 10.0 111.035 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 69.83 16.05 7.84 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.818 0.699 . . . . 10.0 111.651 179.45 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 28.3 m -82.1 150.3 27.57 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.787 0.327 . . . . 10.0 110.698 179.669 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.1 m -107.69 130.06 54.96 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.335 179.821 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 20.1 mt -110.86 145.92 37.39 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.877 0.37 . . . . 10.0 110.866 -179.497 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.535 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 34.7 m170 -101.07 119.47 38.8 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.168 179.691 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 43.4 tp -99.96 100.23 11.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.029 0.442 . . . . 10.0 110.467 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.449 HG13 ' CD1' ' D' ' 494' ' ' LEU . 54.8 t -86.28 131.47 34.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.16 -179.408 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 31.6 mt -90.97 134.23 34.65 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.029 -0.73 . . . . 10.0 109.029 178.845 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.47 148.17 52.62 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 121.127 -0.229 . . . . 10.0 110.953 -179.786 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -165.35 90.37 0.48 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.408 179.576 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -89.98 -14.86 33.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.4 -0.363 . . . . 10.0 111.44 -179.474 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -101.64 -159.94 26.83 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.69 -0.767 . . . . 10.0 111.854 179.763 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.292 0 CA-C-O 118.458 -1.19 . . . . 10.0 111.693 179.92 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.476 0.83 0 CA-C-O 120.497 0.189 . . . . 10.0 110.645 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 65.12 26.87 12.48 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.037 179.813 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -40.62 96.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.469 -179.218 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -71.82 -43.09 66.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.054 0.454 . . . . 10.0 110.179 -179.797 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 457' ' ' LEU . . . . . 0.417 HD22 ' HB3' ' D' ' 480' ' ' LEU . 57.7 mt -63.82 -41.1 97.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -60.63 -41.88 95.78 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.385 -0.371 . . . . 10.0 110.872 179.861 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -67.55 -46.39 72.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.905 179.771 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 42.2 mtm -62.64 -40.96 98.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.643 179.757 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.18 -38.72 90.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.476 179.412 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -61.95 -43.48 98.75 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.257 -0.428 . . . . 10.0 110.527 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -57.82 -42.83 85.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.934 0.397 . . . . 10.0 110.723 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 52.8 mt -72.26 -37.17 57.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.987 -0.552 . . . . 10.0 110.034 179.309 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 -60.37 -33.69 72.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.072 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -68.99 -21.33 64.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.816 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 467' ' ' MET . . . . . 0.535 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 8.2 mtm -101.48 -19.31 15.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.176 -179.688 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 468' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -127.35 80.07 72.28 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-O 121.044 0.45 . . . . 10.0 109.876 179.119 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -77.23 39.45 0.73 Allowed 'Trans proline' 0 CA--C 1.531 0.339 0 C-N-CA 122.682 2.255 . . . . 10.0 112.946 -178.794 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -156.49 23.47 0.35 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.749 0.309 . . . . 10.0 111.299 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 471' ' ' VAL . . . . . . . . . . . . . 14.0 p -120.18 134.67 24.09 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.651 -0.25 . . . . 10.0 110.424 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 472' ' ' PRO . . . . . 0.449 ' O ' HG23 ' D' ' 476' ' ' VAL . 33.8 Cg_exo -61.4 119.71 6.99 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.501 2.134 . . . . 10.0 112.234 179.295 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -52.45 -45.09 65.88 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.706 -0.679 . . . . 10.0 111.881 -179.138 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 33.7 p-80 -61.57 -31.35 71.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.746 -179.317 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 23.1 mt -76.3 -35.53 58.79 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.977 -0.379 . . . . 10.0 109.977 179.528 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 476' ' ' VAL . . . . . 0.449 HG23 ' O ' ' D' ' 472' ' ' PRO . 26.8 t -63.95 -41.4 92.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 109.213 -0.662 . . . . 10.0 109.213 178.69 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 78.8 mt -62.96 -35.27 79.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.521 -0.763 . . . . 10.0 110.099 178.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 478' ' ' GLN . . . . . 0.412 HE21 ' HB3' ' D' ' 478' ' ' GLN . 4.8 tt0 -63.89 -50.24 69.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.383 179.329 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -62.71 -40.67 97.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.211 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 480' ' ' LEU . . . . . 0.417 ' HB3' HD22 ' D' ' 457' ' ' LEU . 0.5 OUTLIER -59.94 -22.99 63.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.835 -0.621 . . . . 10.0 111.401 179.88 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -86.51 -15.59 39.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.941 0.4 . . . . 10.0 111.106 179.721 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -101.02 -52.53 3.26 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.075 -179.576 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 66.5 p -83.08 -49.66 9.3 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.946 -179.061 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 69.3 31.62 3.84 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.898 0.749 . . . . 10.0 110.782 179.744 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 2.0 t -147.16 125.58 12.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.149 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 28.4 m -60.35 -33.07 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 CA-C-N 116.631 -0.259 . . . . 10.0 111.642 -179.236 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -63.34 -53.97 44.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.045 0.45 . . . . 10.0 110.447 179.737 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 30.2 mt -65.56 -39.7 85.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.689 -0.687 . . . . 10.0 112.002 -178.694 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 489' ' ' THR . . . . . 0.438 ' O ' HG13 ' D' ' 493' ' ' ILE . 89.5 m -61.23 -53.13 60.77 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.714 0.264 . . . . 10.0 111.714 -179.4 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 1.4 m -64.3 -35.3 80.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.755 0.312 . . . . 10.0 110.579 -179.738 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -66.77 -39.66 87.94 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.491 -0.559 . . . . 10.0 109.491 179.007 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 492' ' ' ASN . . . . . 0.456 ' HB3' ' HB3' ' D' ' 497' ' ' ARG . 21.6 m-20 -59.41 -36.11 75.24 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.631 -0.713 . . . . 10.0 110.618 179.008 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 493' ' ' ILE . . . . . 0.438 HG13 ' O ' ' D' ' 489' ' ' THR . 47.8 mt -71.23 -37.01 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.443 179.185 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 494' ' ' LEU . . . . . 0.449 ' CD1' HG13 ' B' ' 70' ' ' VAL . 9.9 mt -82.41 12.81 4.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.894 -0.593 . . . . 10.0 111.408 -179.535 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -122.63 -86.13 0.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.081 -0.34 . . . . 10.0 110.081 179.103 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . -176.42 26.46 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.355 -0.926 . . . . 10.0 112.922 179.838 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 497' ' ' ARG . . . . . 0.456 ' HB3' ' HB3' ' D' ' 492' ' ' ASN . 9.6 tpp180 -90.17 -61.02 1.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.784 0.325 . . . . 10.0 110.262 179.927 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 498' ' ' ILE . . . . . 0.401 HD13 HG12 ' D' ' 493' ' ' ILE . 31.7 mt -84.8 109.3 17.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 179.538 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -66.83 135.99 54.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.481 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 26.8 m -78.56 160.68 71.87 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.422 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -57.65 104.18 0.16 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.624 2.216 . . . . 10.0 111.41 179.41 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -111.19 133.8 21.25 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.358 -179.22 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -58.43 132.72 50.25 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.726 2.284 . . . . 10.0 111.823 179.253 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 8.5 t . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.138 -0.934 . . . . 10.0 109.59 -179.595 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 110.13 -0.322 . . . . 10.0 110.13 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -100.38 136.42 40.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.924 0.392 . . . . 10.0 111.548 -179.235 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.1 pt -126.57 164.85 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.746 -0.661 . . . . 10.0 109.787 178.74 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -122.06 114.46 20.96 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.784 0.326 . . . . 10.0 110.855 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.8 t -101.39 115.22 42.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 179.099 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.1 tttp -107.89 135.09 49.86 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.828 0.347 . . . . 10.0 110.921 -179.303 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.9 p -97.0 172.9 7.56 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.483 179.513 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 67.7 mt -67.02 -13.23 61.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.203 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.58 2.35 56.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.502 . . . . 10.0 111.06 179.864 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.23 -22.5 19.08 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.0 -0.619 . . . . 10.0 112.454 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -58.64 115.74 3.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.899 0.38 . . . . 10.0 110.573 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 m -102.87 128.67 49.55 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.525 -179.521 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mt -111.14 146.83 15.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.708 -179.211 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.7 m -107.37 126.66 52.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.177 179.539 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.8 mt -131.89 138.63 48.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.039 0.447 . . . . 10.0 111.153 -179.624 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -92.29 110.68 22.08 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.566 -0.743 . . . . 10.0 110.112 179.361 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.6 m -132.54 150.25 33.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.047 0.451 . . . . 10.0 110.803 -179.853 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -104.05 158.99 30.76 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.704 -0.68 . . . . 10.0 109.673 179.406 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.7 -15.86 33.92 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.671 2.247 . . . . 10.0 113.062 -179.852 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.99 11.59 29.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.501 -179.831 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -84.66 170.54 13.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.92 0.39 . . . . 10.0 110.281 179.779 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.448 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -121.8 144.37 48.85 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.449 -179.524 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.1 mm -54.96 -41.43 58.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-O 120.907 0.384 . . . . 10.0 110.909 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.54 -42.15 95.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.022 -0.536 . . . . 10.0 110.619 179.179 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -68.76 -39.63 80.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.912 -0.586 . . . . 10.0 110.814 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 22' ' ' THR . 98.0 t -59.62 -42.99 90.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.25 179.277 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.409 ' HZ1' ' CG ' ' A' ' 52' ' ' ASP . 39.1 mtmt -62.64 -34.09 76.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.412 179.39 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.71 -32.86 72.95 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.288 179.109 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -67.94 -41.71 82.1 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.418 -0.586 . . . . 10.0 109.418 178.745 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 54.3 mt -67.98 -35.34 71.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.854 -0.612 . . . . 10.0 109.568 178.711 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -61.07 -36.64 80.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.415 -0.811 . . . . 10.0 111.513 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -79.02 -23.49 44.32 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.414 0.524 . . . . 10.0 112.414 -178.345 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -95.32 -44.85 7.39 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.473 0.546 . . . . 10.0 112.473 -178.674 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -93.9 -26.68 16.77 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.644 0.259 . . . . 10.0 111.658 -178.801 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.87 11.38 63.62 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.616 -0.802 . . . . 10.0 112.523 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.0 mt -87.21 123.13 70.46 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 110.594 -0.151 . . . . 10.0 110.594 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -55.89 138.07 80.8 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.791 2.328 . . . . 10.0 112.457 179.8 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -63.91 -27.57 66.89 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.775 2.317 . . . . 10.0 112.453 -179.489 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -74.26 -20.65 60.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.5 179.773 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -107.87 17.58 22.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.529 -179.343 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -110.54 120.57 42.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.565 -0.743 . . . . 10.0 110.583 -179.833 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -122.71 115.39 21.99 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.99 -0.374 . . . . 10.0 109.99 179.256 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.4 mt -100.22 134.15 43.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.265 -179.249 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mp -125.95 135.28 64.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.137 179.378 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -127.94 117.62 22.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.455 179.407 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.31 21.43 10.91 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.727 -0.669 . . . . 10.0 112.157 179.498 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.99 -6.37 60.0 Favored Glycine 0 CA--C 1.517 0.165 0 C-N-CA 120.738 -0.744 . . . . 10.0 112.847 179.609 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -105.6 130.72 53.58 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.864 -0.421 . . . . 10.0 109.864 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -76.54 137.3 39.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.746 0.307 . . . . 10.0 110.309 -179.631 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.2 mt -89.52 130.29 35.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.986 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.465 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 32.6 mt-10 -82.25 153.03 26.09 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.814 -0.439 . . . . 10.0 109.814 179.231 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.409 ' CG ' ' HZ1' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -59.83 -48.62 80.95 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.246 -0.433 . . . . 10.0 111.829 -179.256 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.9 54.76 4.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.796 -0.716 . . . . 10.0 113.014 -179.148 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.465 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 24.8 mmt180 -138.82 161.63 36.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 10.0 110.37 179.551 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.4 p -104.39 174.72 5.75 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.174 179.17 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.4 mt -73.1 -35.02 66.51 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.175 0.512 . . . . 10.0 110.069 179.415 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.38 -22.59 63.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.759 -0.655 . . . . 10.0 111.112 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.75 -34.02 70.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.54 -179.855 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -109.17 18.43 20.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.448 -179.325 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.6 t30 58.96 34.32 23.54 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.7 mt -79.13 119.13 27.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.475 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -104.91 -167.85 1.4 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.611 -0.722 . . . . 10.0 109.613 179.319 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -75.34 159.66 31.19 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.316 -0.253 . . . . 10.0 110.316 179.263 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 62.81 30.21 16.67 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.885 179.273 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.5 m -94.86 142.07 27.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.76 0.314 . . . . 10.0 110.513 179.613 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.47 116.49 31.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.835 -179.919 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mp -101.22 137.57 39.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.961 -0.563 . . . . 10.0 109.676 179.797 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -97.81 121.43 39.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.256 -179.517 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.6 tp -104.55 117.88 35.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.587 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.1 t -103.35 134.22 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.438 179.854 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.8 mt -79.09 126.38 30.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.783 -179.841 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 40.1 ttt180 -111.64 85.07 2.06 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.277 -0.419 . . . . 10.0 110.566 -179.729 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.8 mt -68.94 139.76 55.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.088 -179.646 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -121.88 5.15 9.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.41 -179.829 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.3 -91.37 1.2 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.55 -0.833 . . . . 10.0 112.708 -179.835 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.239 -1.312 . . . . 10.0 111.284 -179.89 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.581 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 23.2 ptt? . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 120.915 0.388 . . . . 10.0 110.156 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -84.02 135.67 34.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.882 -179.252 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.9 pt -132.64 164.97 33.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.577 178.506 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.472 ' O ' ' HA ' ' B' ' 66' ' ' THR . 56.7 m-85 -125.72 121.18 32.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.696 -0.229 . . . . 10.0 110.559 -179.75 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 45.6 t -105.83 125.12 61.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.581 0.229 . . . . 10.0 110.411 179.7 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.48 ' HE2' ' OE1' ' D' ' 466' ' ' GLU . 45.7 tttp -102.77 142.43 33.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.857 0.361 . . . . 10.0 110.615 -179.821 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 16.6 p -118.13 162.09 18.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.594 179.825 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 18.0 mt -66.28 -15.9 63.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.057 0.456 . . . . 10.0 111.148 179.329 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.63 -2.33 57.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.833 179.491 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.62 26.49 58.86 Favored Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 115.88 -0.6 . . . . 10.0 112.604 179.572 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 35.2 tttm -108.98 126.91 53.6 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.166 -0.309 . . . . 10.0 110.166 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -96.83 123.07 40.43 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.368 179.756 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 28.4 mt -106.41 131.65 55.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.904 -179.168 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.93 131.94 49.51 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.089 -0.505 . . . . 10.0 109.717 179.332 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 9.2 mt -137.78 156.72 47.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.173 0.511 . . . . 10.0 111.994 -179.052 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -106.11 107.7 18.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.989 -1.005 . . . . 10.0 108.48 178.326 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.581 ' O ' ' HG2' ' B' ' 1' ' ' MET . 14.4 m -135.72 145.17 31.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.988 -178.654 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.578 ' O ' HD12 ' B' ' 56' ' ' LEU . 25.8 mm-40 -96.9 155.14 37.93 Favored Pre-proline 0 C--N 1.318 -0.779 0 N-CA-C 109.603 -0.518 . . . . 10.0 109.603 178.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -56.96 -22.82 48.37 Favored 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 122.461 2.107 . . . . 10.0 112.643 -179.896 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.86 12.66 29.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.867 -179.531 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -84.51 153.44 23.29 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.936 -0.394 . . . . 10.0 109.936 179.579 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.485 ' O ' HG21 ' B' ' 26' ' ' VAL . 0.6 OUTLIER -92.07 148.63 22.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.544 -0.298 . . . . 10.0 111.336 -179.115 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 46.3 mm -58.31 -44.32 88.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.647 179.716 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.27 -34.71 74.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.657 179.662 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -71.4 -37.14 71.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.346 179.731 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.485 HG21 ' O ' ' B' ' 22' ' ' THR . 57.7 t -61.12 -41.39 89.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.421 -0.585 . . . . 10.0 109.421 178.586 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -66.44 -31.04 71.54 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.694 -0.685 . . . . 10.0 110.114 179.122 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.31 -33.73 76.4 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.19 0.519 . . . . 10.0 110.069 178.843 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -69.87 -38.86 76.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.768 179.112 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 45.1 mt -71.35 -32.56 47.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.575 0.702 . . . . 10.0 109.119 178.214 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.507 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 37.3 tt0 -64.52 -32.26 73.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.997 -1.001 . . . . 10.0 110.215 179.211 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -81.83 -41.3 21.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.994 179.875 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -69.53 -64.06 0.95 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.95 -0.568 . . . . 10.0 112.401 -179.152 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -83.38 -44.66 14.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.418 -0.355 . . . . 10.0 111.468 -178.467 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.507 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 100.6 41.8 2.64 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.552 -0.832 . . . . 10.0 112.076 -179.372 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 58.9 mt -107.69 125.37 32.38 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 110.525 -0.176 . . . . 10.0 110.525 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.22 138.63 54.66 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.859 2.373 . . . . 10.0 112.387 179.443 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.06 -17.06 54.47 Favored 'Trans proline' 0 C--O 1.236 0.375 0 C-N-CA 122.624 2.216 . . . . 10.0 112.411 -179.026 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -73.71 -33.1 64.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.722 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -93.64 -16.19 24.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.88 -179.422 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -74.72 93.78 2.62 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.667 -179.776 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.412 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 12.0 mtp180 -101.1 102.15 13.04 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.852 -0.795 . . . . 10.0 108.852 178.31 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 11.2 mt -83.83 134.63 34.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.995 0.426 . . . . 10.0 111.961 -178.609 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.2 mp -127.16 142.36 43.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.439 -0.8 . . . . 10.0 109.765 179.319 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -137.1 109.34 7.28 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.775 -0.454 . . . . 10.0 109.775 179.231 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.35 31.03 10.77 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.425 179.724 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.03 -6.55 79.03 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.656 -0.783 . . . . 10.0 113.338 179.189 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -109.12 140.65 42.41 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 122.633 -0.334 . . . . 10.0 110.185 179.879 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.05 143.43 43.48 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 110.209 -0.293 . . . . 10.0 110.209 179.859 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 81.3 mt -92.13 115.08 27.76 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.244 179.793 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.417 ' HB3' ' CG ' ' B' ' 54' ' ' ARG . 38.6 tt0 -67.38 122.29 17.6 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 178.867 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -53.57 -33.36 54.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.599 -0.728 . . . . 10.0 112.536 -177.939 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.78 24.4 6.7 Favored Glycine 0 CA--C 1.521 0.432 0 C-N-CA 120.88 -0.676 . . . . 10.0 113.745 -179.236 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.417 ' CG ' ' HB3' ' B' ' 51' ' ' GLU . 26.8 mmm-85 -122.56 171.56 9.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 117.335 0.567 . . . . 10.0 110.247 179.406 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.444 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 62.8 p -105.58 175.29 5.55 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.284 179.356 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.578 HD12 ' O ' ' B' ' 18' ' ' GLU . 78.1 mt -68.24 -29.75 68.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.113 0.482 . . . . 10.0 110.282 178.937 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 67.4 m -73.07 -19.13 61.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.842 179.857 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.4 m-20 -65.68 -28.58 69.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.712 179.566 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -116.56 14.76 15.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.856 -179.492 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 57.67 32.21 21.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.686 -0.688 . . . . 10.0 112.026 179.294 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.403 ' O ' ' HE1' ' B' ' 1' ' ' MET . 92.0 mt -69.98 122.88 22.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 179.306 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -113.18 -167.62 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.079 0.466 . . . . 10.0 111.201 -178.518 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 6.2 pttp -73.61 147.08 44.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.328 179.557 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 65.54 11.92 7.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.511 -0.768 . . . . 10.0 112.153 179.484 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 67.0 m -76.82 137.53 39.29 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.894 0.378 . . . . 10.0 110.011 179.177 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 2.0 m -93.8 124.98 38.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.923 -0.58 . . . . 10.0 111.242 -179.551 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 mp -106.1 154.2 20.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.774 179.499 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.469 ' HB3' ' SD ' ' D' ' 467' ' ' MET . 29.3 m80 -111.97 130.46 55.85 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.515 -0.311 . . . . 10.0 110.234 -179.924 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 50.1 tp -115.02 113.49 24.16 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.829 0.347 . . . . 10.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.412 ' HB ' ' HB2' ' B' ' 42' ' ' ARG . 58.8 t -92.86 125.07 45.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.436 179.842 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 49.1 mt -88.72 105.28 17.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.406 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.469 ' HD2' ' OD1' ' D' ' 491' ' ' ASP . 18.6 ttt85 -81.5 147.22 29.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.615 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 5.2 mp -128.18 -173.54 2.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.346 179.66 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -87.26 25.69 1.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.055 -179.87 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -111.63 7.19 28.03 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.901 -0.666 . . . . 10.0 111.95 179.774 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 CA-C-O 118.635 -1.092 . . . . 10.0 112.086 -179.661 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 120.476 0.179 . . . . 10.0 110.785 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 62.37 20.42 11.83 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 122.885 0.474 . . . . 10.0 111.426 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.57 -46.52 63.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.337 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -66.57 -36.56 82.94 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.838 -0.43 . . . . 10.0 109.838 179.314 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 77.2 mt -64.41 -42.94 95.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.899 -0.592 . . . . 10.0 110.035 179.147 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 -61.69 -46.31 90.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.168 179.734 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.99 -41.51 97.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.967 -0.56 . . . . 10.0 111.005 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 43.1 mtm -64.73 -36.16 83.39 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -67.15 -30.92 71.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.24 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 462' ' ' HIS . . . . . 0.438 ' O ' ' HG3' ' D' ' 466' ' ' GLU . 67.8 t60 -59.53 -43.86 93.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.795 -179.724 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.51 -33.61 70.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.18 0.514 . . . . 10.0 111.276 -179.673 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 84.6 mt -77.24 -35.64 22.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.363 179.712 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -65.77 -29.86 70.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.634 179.677 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . 0.48 ' OE1' ' HE2' ' B' ' 6' ' ' LYS . 57.1 mt-10 -67.22 -23.4 65.72 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.514 179.252 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 467' ' ' MET . . . . . 0.469 ' SD ' ' HB3' ' B' ' 68' ' ' HIS . 32.3 mtm -99.82 -37.28 9.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.716 -179.551 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 468' ' ' PHE . . . . . 0.416 ' O ' HG13 ' D' ' 471' ' ' VAL . 25.4 m-85 -118.51 90.8 40.12 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.192 179.453 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo -82.82 3.08 8.09 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.7 2.267 . . . . 10.0 112.371 -179.383 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -116.12 27.33 9.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.126 -179.738 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 471' ' ' VAL . . . . . 0.441 ' HA ' ' HD3' ' D' ' 472' ' ' PRO . 6.2 p -123.52 137.11 28.02 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.233 -0.439 . . . . 10.0 109.945 179.299 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 472' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' D' ' 471' ' ' VAL . 22.8 Cg_exo -66.79 126.1 14.8 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.534 2.156 . . . . 10.0 112.696 179.516 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -55.12 -45.98 75.56 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.471 -0.786 . . . . 10.0 111.724 -179.483 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 44.7 p-80 -64.83 -25.02 67.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.784 -179.295 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 12.4 mt -80.42 -33.6 36.8 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.074 -0.343 . . . . 10.0 110.074 179.315 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 89.6 t -67.61 -40.04 83.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 108.652 -0.87 . . . . 10.0 108.652 178.185 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . 0.451 ' O ' ' HG3' ' D' ' 481' ' ' GLN . 66.1 mt -64.68 -21.39 66.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.149 -0.932 . . . . 10.0 110.709 178.906 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -70.65 -52.43 21.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.236 179.609 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -67.22 -35.25 79.2 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.976 0.417 . . . . 10.0 110.253 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -25.37 62.83 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.749 -0.659 . . . . 10.0 111.226 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 481' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' D' ' 477' ' ' LEU . 77.8 mt-30 -85.25 -15.42 43.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.701 0.286 . . . . 10.0 111.218 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -98.06 -58.19 2.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.472 -0.331 . . . . 10.0 110.955 -179.524 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 46.9 p -77.62 -44.07 29.48 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.826 0.346 . . . . 10.0 110.658 -179.376 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 68.77 32.7 3.98 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.348 -0.842 . . . . 10.0 111.117 179.532 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 1.9 t -147.43 115.34 6.47 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.355 -0.839 . . . . 10.0 109.127 179.278 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 13.0 m -58.12 -33.2 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.371 . . . . 10.0 111.335 -179.651 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 30.1 mp0 -63.28 -52.45 61.95 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.816 179.458 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 60.6 mt -67.09 -40.29 85.05 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.531 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 489' ' ' THR . . . . . 0.553 ' O ' HG13 ' D' ' 493' ' ' ILE . 65.1 m -57.79 -57.46 12.64 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.082 0.401 . . . . 10.0 112.082 -179.014 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 490' ' ' THR . . . . . 0.439 HG23 ' CE ' ' D' ' 467' ' ' MET . 2.5 m -58.21 -40.1 80.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.126 0.488 . . . . 10.0 111.1 -179.174 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 491' ' ' ASP . . . . . 0.469 ' OD1' ' HD2' ' B' ' 72' ' ' ARG . 6.6 t70 -68.43 -42.07 79.44 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.335 -0.848 . . . . 10.0 110.455 179.664 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -62.5 -29.36 70.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.383 -0.826 . . . . 10.0 110.633 179.367 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 493' ' ' ILE . . . . . 0.553 HG13 ' O ' ' D' ' 489' ' ' THR . 89.9 mt -63.29 -39.09 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.137 0 N-CA-C 109.329 -0.619 . . . . 10.0 109.329 178.338 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.11 -21.46 65.85 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.557 179.12 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -77.86 -16.52 58.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.83 179.629 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 93.33 14.48 53.79 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.801 -0.714 . . . . 10.0 112.873 179.834 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.73 -46.3 63.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.205 0.526 . . . . 10.0 110.508 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 3.0 mp -81.65 128.8 38.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.317 179.472 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 69.4 mm-40 -66.05 121.68 15.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.817 -179.439 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 7.2 m -74.13 150.72 87.9 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.369 179.473 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -55.76 116.05 2.89 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.621 2.214 . . . . 10.0 112.16 179.898 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -128.39 125.64 23.31 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.415 -179.845 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.02 97.53 0.41 Allowed 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.665 2.243 . . . . 10.0 111.927 179.658 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.097 -0.954 . . . . 10.0 109.482 179.919 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.491 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 26.2 ptt? . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.678 0.275 . . . . 10.0 110.359 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -101.0 129.68 46.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.626 179.798 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.2 pt -123.75 160.99 26.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.142 -0.481 . . . . 10.0 109.947 179.176 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.472 ' O ' ' HA ' ' A' ' 66' ' ' THR . 88.6 m-85 -122.64 122.8 39.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.636 0.255 . . . . 10.0 110.763 -179.443 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.8 t -109.14 120.32 60.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.796 -0.446 . . . . 10.0 109.796 179.271 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.2 mttp -106.85 135.35 48.55 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.994 0.425 . . . . 10.0 110.981 -179.502 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 69.0 p -97.33 176.53 5.86 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.358 179.279 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.8 mt -77.9 -7.12 56.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.028 0.442 . . . . 10.0 110.466 179.463 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.77 2.7 52.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.429 -179.767 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.24 27.5 44.13 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.996 -0.621 . . . . 10.0 112.398 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -101.15 125.88 47.81 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.277 -0.268 . . . . 10.0 110.277 -179.754 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.5 m -105.86 102.52 11.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.121 0.486 . . . . 10.0 110.404 179.687 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.4 mp -91.59 121.65 42.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.599 -179.806 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.86 134.83 33.99 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.494 179.052 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.52 147.48 37.85 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.557 0.218 . . . . 10.0 111.204 -179.183 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -113.96 108.43 17.02 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 178.771 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.491 ' O ' ' HG2' ' A' ' 1' ' ' MET . 2.8 m -138.04 -176.36 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.571 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.487 ' O ' HD11 ' A' ' 56' ' ' LEU . 16.1 mm-40 -132.7 160.03 70.07 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 110.255 -0.276 . . . . 10.0 110.255 179.717 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.428 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 50.7 Cg_exo -54.17 -27.21 45.7 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.851 2.367 . . . . 10.0 113.438 -179.869 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.77 0.18 44.89 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.207 0.447 . . . . 10.0 112.207 -179.396 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.83 140.12 35.59 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.889 0.376 . . . . 10.0 110.414 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -81.1 140.29 35.15 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.943 -0.572 . . . . 10.0 110.3 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.5 mm -54.51 -40.75 51.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 120.799 0.333 . . . . 10.0 111.331 -179.713 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.87 -41.76 87.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.414 179.309 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -67.49 -36.39 81.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.965 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.404 ' O ' HG13 ' A' ' 30' ' ' ILE . 86.3 t -61.71 -47.38 93.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.841 178.826 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -63.98 -36.02 82.59 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.197 179.295 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.32 -29.58 70.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.651 179.532 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -76.29 -35.3 58.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.151 179.078 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 26' ' ' VAL . 66.2 mt -67.24 -34.03 66.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.036 179.273 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -65.43 -31.42 72.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.728 179.579 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -78.15 -35.42 48.92 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.166 179.744 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -70.8 -61.38 1.79 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.997 179.566 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -88.79 -70.68 0.63 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.969 -179.07 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.8 44.36 0.13 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 10.0 112.126 -179.688 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 41.3 mt -114.57 126.64 27.69 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 110.478 -0.193 . . . . 10.0 110.478 -179.324 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.69 139.26 58.47 Favored 'Trans proline' 0 CA--C 1.533 0.436 0 C-N-CA 122.837 2.358 . . . . 10.0 112.377 179.434 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -65.65 -17.19 56.26 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.772 2.315 . . . . 10.0 112.157 -179.473 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -76.56 -33.21 58.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.573 -0.739 . . . . 10.0 110.364 179.398 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -95.09 -6.41 42.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.676 -179.558 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -84.75 111.72 19.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.85 -0.614 . . . . 10.0 111.918 -179.189 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.2 mtt180 -117.24 110.89 18.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.068 178.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 70.5 mt -98.1 126.88 43.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.114 -0.493 . . . . 10.0 111.264 -179.835 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -121.81 134.48 64.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.626 179.46 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -130.92 118.5 20.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.533 -0.303 . . . . 10.0 110.596 179.782 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.09 25.05 13.43 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.944 -0.571 . . . . 10.0 112.11 179.257 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.58 -17.14 58.83 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.894 -0.669 . . . . 10.0 112.57 179.873 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -94.91 132.59 39.57 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.034 0.445 . . . . 10.0 111.056 -179.719 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -79.1 133.12 36.77 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.343 179.325 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.6 mt -83.9 123.43 29.93 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.798 0.333 . . . . 10.0 110.742 -179.251 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.483 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 6.1 mt-10 -80.92 145.72 31.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.326 179.789 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -55.97 -49.12 74.45 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.654 0.613 . . . . 10.0 112.654 -178.797 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.77 32.88 3.36 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 120.731 -0.747 . . . . 10.0 114.641 -177.631 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.483 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 41.3 mmt-85 -124.63 167.15 14.91 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 117.665 0.732 . . . . 10.0 110.326 179.341 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.1 p -107.98 165.04 11.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.502 -0.317 . . . . 10.0 110.924 179.69 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.487 HD11 ' O ' ' A' ' 18' ' ' GLU . 90.7 mt -63.5 -31.08 72.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.149 -179.848 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 p -70.99 -18.84 62.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.747 -179.574 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -66.57 -30.61 70.95 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.849 0.357 . . . . 10.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -107.03 13.05 27.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.487 -179.602 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 59.0 32.33 22.18 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.273 -0.876 . . . . 10.0 111.56 -179.693 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.0 mt -73.78 111.17 8.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.837 -0.431 . . . . 10.0 109.837 179.73 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -103.2 -164.93 1.12 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.628 -179.287 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -74.68 155.38 37.8 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.695 0.283 . . . . 10.0 111.256 -179.724 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 65.15 13.74 8.93 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.655 -0.702 . . . . 10.0 112.401 179.656 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.3 m -78.67 145.18 34.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.734 0.302 . . . . 10.0 110.549 179.821 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 72.1 m -106.22 119.62 39.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.779 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 mp -102.08 147.91 26.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.637 -0.71 . . . . 10.0 109.645 179.63 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 22.9 m80 -104.85 128.88 53.2 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.981 -0.377 . . . . 10.0 109.981 179.9 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.1 tp -109.12 112.36 24.49 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.052 0.453 . . . . 10.0 111.11 -179.611 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.4 t -105.66 133.29 50.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.677 -0.692 . . . . 10.0 109.186 178.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 61.8 mt -101.03 134.01 44.66 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.716 0.293 . . . . 10.0 110.849 -179.244 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 47.9 ttt-85 -101.05 119.28 38.51 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.563 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 98.1 mt -86.37 144.07 27.52 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.308 179.372 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.67 131.63 26.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.072 179.815 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 141.11 -88.11 0.19 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.914 -0.66 . . . . 10.0 112.161 179.465 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.198 0 CA-C-O 118.735 -1.036 . . . . 10.0 111.191 -179.78 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptt? . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 110.154 -0.313 . . . . 10.0 110.154 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 60.4 mm-40 -107.75 145.34 33.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.845 0.355 . . . . 10.0 111.543 -179.149 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 23.3 pt -130.98 161.07 41.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.675 178.624 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -114.36 108.24 16.63 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.655 0.264 . . . . 10.0 110.871 -179.287 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 83.5 t -95.58 118.07 41.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.441 -0.577 . . . . 10.0 109.441 178.877 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -103.22 139.1 39.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.046 0.45 . . . . 10.0 111.051 -178.879 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 7.9 p -111.68 168.08 9.84 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.749 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 28.0 mt -69.51 -13.07 62.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.163 179.804 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.83 -1.31 57.12 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.615 179.398 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.83 12.46 79.8 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.95 -0.568 . . . . 10.0 112.485 179.587 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -94.73 128.52 41.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.614 0.245 . . . . 10.0 110.401 -179.885 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.8 m -108.26 111.37 23.29 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 179.413 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mt -99.72 129.99 49.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.967 -0.56 . . . . 10.0 111.202 -178.244 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -94.71 129.37 41.65 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.276 -0.639 . . . . 10.0 109.276 178.457 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mp -131.85 153.17 50.46 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.946 0.403 . . . . 10.0 111.596 -179.229 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -94.83 118.05 31.13 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.405 -0.816 . . . . 10.0 109.807 179.571 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 14.0 m -137.54 165.91 25.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.602 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.549 ' O ' HD12 ' B' ' 56' ' ' LEU . 75.3 mm-40 -119.24 154.59 53.82 Favored Pre-proline 0 C--N 1.32 -0.702 0 N-CA-C 109.454 -0.573 . . . . 10.0 109.454 179.684 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -57.1 -29.5 83.45 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.319 2.013 . . . . 10.0 112.605 -179.713 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.88 4.64 51.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.151 -0.477 . . . . 10.0 111.561 -179.719 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -71.42 140.25 50.02 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.874 -0.417 . . . . 10.0 109.874 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.3 m -81.95 143.02 31.93 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.776 -179.405 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 50.8 mm -55.59 -35.61 39.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 116.255 -0.429 . . . . 10.0 111.207 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.52 -36.31 75.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.747 179.473 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.434 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 97.6 m-20 -65.73 -38.6 89.6 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 179.615 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 28.8 t -61.68 -42.09 92.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.749 -0.66 . . . . 10.0 109.915 179.492 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -58.56 -42.23 87.46 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.692 -0.685 . . . . 10.0 110.246 179.425 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.4 -39.59 85.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.872 179.741 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 98.9 mttt -63.42 -42.43 98.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.601 179.791 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 90.7 mt -64.94 -34.95 73.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.094 0.473 . . . . 10.0 110.175 179.298 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.413 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 61.2 tt0 -66.85 -29.79 69.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.689 179.741 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -76.55 -18.32 58.75 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.863 0.363 . . . . 10.0 111.061 179.864 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -98.18 -55.91 2.63 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.321 -0.399 . . . . 10.0 111.346 -179.616 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -85.81 -38.05 18.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.163 0.506 . . . . 10.0 111.467 -179.128 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 98.94 2.01 57.18 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.913 -0.66 . . . . 10.0 111.943 -178.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.9 mt -78.78 120.64 81.64 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 110.205 -0.295 . . . . 10.0 110.205 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.36 143.96 96.86 Favored 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 122.521 2.148 . . . . 10.0 111.918 179.183 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -55.72 -25.11 49.51 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.215 2.61 . . . . 10.0 113.037 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -68.5 -17.24 64.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.436 . . . . 10.0 111.079 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -114.52 9.58 16.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.389 -179.844 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -100.98 126.26 47.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.331 -179.317 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -123.36 106.09 10.38 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.143 -0.481 . . . . 10.0 109.793 178.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 37.5 mt -93.06 123.19 36.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.983 -178.898 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mp -119.39 133.98 64.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.479 -179.942 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -137.14 129.57 29.87 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.306 -0.627 . . . . 10.0 109.306 179.203 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.59 34.46 22.33 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.022 -0.535 . . . . 10.0 111.482 -179.754 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.63 26.24 70.19 Favored Glycine 0 C--N 1.332 0.33 0 CA-C-N 115.96 -0.564 . . . . 10.0 113.799 178.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -147.39 159.83 43.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.948 0.374 . . . . 10.0 110.702 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -83.14 154.67 24.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.934 0.397 . . . . 10.0 111.647 -179.491 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 28.0 mt -112.67 135.43 53.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.614 179.033 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.462 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 7.4 mt-10 -83.04 147.07 28.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.831 0.348 . . . . 10.0 110.288 179.816 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.62 -29.97 69.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.359 -179.192 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.11 37.7 3.3 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.796 -0.716 . . . . 10.0 112.693 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.462 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 33.3 mmt180 -134.07 166.25 23.18 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.052 -0.351 . . . . 10.0 110.052 179.436 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.554 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 35.6 p -106.89 171.82 7.16 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.871 178.845 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.549 HD12 ' O ' ' B' ' 18' ' ' GLU . 88.3 mt -68.48 -38.4 80.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.939 0.399 . . . . 10.0 110.693 179.835 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 24.6 m -69.25 -12.84 62.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.134 179.864 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.554 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.0 OUTLIER -66.61 -34.55 78.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.053 0.454 . . . . 10.0 110.544 179.705 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -108.83 19.5 19.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.19 -179.225 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 61.2 31.52 19.54 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.328 179.633 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 82.8 mt -78.88 117.66 24.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.016 0.436 . . . . 10.0 110.643 -179.519 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -102.5 -169.68 1.7 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.21 179.636 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -80.85 157.96 25.51 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.596 -0.52 . . . . 10.0 109.596 178.793 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 67.13 18.72 10.45 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.62 0.575 . . . . 10.0 111.112 -179.891 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.8 m -87.62 150.9 23.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.473 -0.33 . . . . 10.0 110.408 179.614 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.7 m -102.15 127.8 48.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.07 179.759 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mp -111.43 133.67 53.56 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 179.441 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.577 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 54.4 m80 -92.31 119.29 31.74 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.565 -0.289 . . . . 10.0 110.692 -179.511 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 44.8 tp -101.68 101.01 11.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.116 0.484 . . . . 10.0 110.031 179.061 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 53.5 t -83.12 127.73 39.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.584 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 49.5 mt -82.86 146.55 28.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.987 179.712 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.41 ' HG3' ' CG ' ' D' ' 491' ' ' ASP . 26.3 ttt180 -145.71 130.92 18.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.559 179.854 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 11.3 mt -93.6 -169.08 2.03 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.777 179.858 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -116.41 -4.17 11.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.451 0.643 . . . . 10.0 109.832 178.66 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 166.0 139.81 2.74 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.257 -0.883 . . . . 10.0 111.008 -179.914 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.334 -1.259 . . . . 10.0 111.743 179.985 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 2.9 p . . . . . 0 N--CA 1.472 0.662 0 N-CA-C 110.368 -0.234 . . . . 10.0 110.368 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 64.03 28.28 14.3 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.864 179.777 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -64.04 -32.97 74.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.525 -179.685 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -64.15 -39.45 94.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.193 179.307 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 42.6 mt -67.61 -45.4 75.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.08 179.53 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -59.73 -43.42 94.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.465 179.371 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -65.39 -44.76 86.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.122 179.836 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 57.1 mtm -65.23 -43.41 91.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.57 -38.46 91.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.497 179.605 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -58.76 -38.62 78.84 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.889 179.136 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -68.38 -38.98 81.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.394 179.514 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 76.7 mt -68.15 -35.0 69.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.481 179.696 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -61.41 -28.36 69.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.115 -179.807 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -86.91 -6.66 58.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.048 0.451 . . . . 10.0 110.816 179.507 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 467' ' ' MET . . . . . 0.577 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 74.4 mmm -94.58 -39.21 10.49 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 179.172 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 468' ' ' PHE . . . . . 0.518 ' O ' HG13 ' D' ' 471' ' ' VAL . 0.9 OUTLIER -131.77 88.03 43.53 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.993 179.095 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -75.97 31.53 0.39 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.681 2.254 . . . . 10.0 112.93 -179.492 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 470' ' ' GLN . . . . . 0.402 ' H ' ' C ' ' D' ' 468' ' ' PHE . 11.3 pt20 -133.8 14.01 4.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.236 -179.765 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 471' ' ' VAL . . . . . 0.518 HG13 ' O ' ' D' ' 468' ' ' PHE . 11.4 p -119.41 135.92 24.29 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.178 -179.843 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 472' ' ' PRO . . . . . 0.434 ' O ' HG23 ' D' ' 476' ' ' VAL . 31.7 Cg_exo -60.82 116.48 3.38 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 122.569 2.179 . . . . 10.0 112.267 179.389 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -54.38 -41.21 68.95 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.798 -0.637 . . . . 10.0 112.282 -179.031 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -64.42 -25.69 68.13 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.681 0.276 . . . . 10.0 111.514 -179.461 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 24.0 mt -83.95 -31.18 25.71 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.682 -0.488 . . . . 10.0 109.682 179.184 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 476' ' ' VAL . . . . . 0.434 HG23 ' O ' ' D' ' 472' ' ' PRO . 58.2 t -66.14 -46.95 86.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 178.687 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.01 -25.66 68.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.45 -0.796 . . . . 10.0 110.394 179.351 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -68.54 -45.72 71.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.152 179.268 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -66.04 -34.08 77.26 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 179.433 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -61.26 -17.86 55.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.449 -0.796 . . . . 10.0 111.224 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -83.5 -18.93 36.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.889 0.376 . . . . 10.0 110.837 179.334 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -103.66 -47.18 4.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.63 -178.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 55.6 p -87.11 -50.02 6.91 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.636 -0.256 . . . . 10.0 111.49 -179.041 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 20.1 mtt180 66.53 27.38 9.7 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.099 -0.501 . . . . 10.0 111.237 179.838 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 3.9 t -147.47 128.63 14.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.939 0.399 . . . . 10.0 110.851 -179.67 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 19.8 m -66.7 -24.13 32.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.844 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -75.45 -11.88 60.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.29 -179.78 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 33.4 mt -109.04 -48.38 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.387 -0.369 . . . . 10.0 110.397 179.475 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 489' ' ' THR . . . . . 0.542 ' O ' HG13 ' D' ' 493' ' ' ILE . 35.4 m -55.76 -59.29 5.07 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.39 -0.368 . . . . 10.0 111.657 -179.553 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -35.02 74.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.482 -179.229 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 491' ' ' ASP . . . . . 0.41 ' CG ' ' HG3' ' B' ' 72' ' ' ARG . 0.0 OUTLIER -68.33 -52.44 33.36 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.646 -0.502 . . . . 10.0 109.646 178.776 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' D' D ' 492' ' ' ASN . . . . . 0.41 ' HB3' ' CB ' ' D' ' 497' ' ' ARG . 1.1 m-80 -60.81 -20.14 60.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.21 -0.905 . . . . 10.0 111.74 -179.845 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 493' ' ' ILE . . . . . 0.542 HG13 ' O ' ' D' ' 489' ' ' THR . 34.3 mt -64.7 -42.45 95.07 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 N-CA-C 109.384 -0.599 . . . . 10.0 109.384 178.116 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 5.6 mt -77.91 -12.93 60.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.204 179.56 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -84.82 -56.0 3.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.848 -0.614 . . . . 10.0 110.636 179.639 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 140.0 26.91 0.23 Allowed Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.629 -0.796 . . . . 10.0 112.732 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 497' ' ' ARG . . . . . 0.41 ' CB ' ' HB3' ' D' ' 492' ' ' ASN . 22.7 tpp180 -79.82 -53.41 6.81 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.59 -0.522 . . . . 10.0 109.59 179.189 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 4.5 mp -86.94 124.9 40.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.403 179.394 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -71.25 126.88 30.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.084 0.468 . . . . 10.0 111.164 -179.322 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 26.5 m -74.02 164.52 60.57 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.172 179.527 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -69.32 73.07 1.19 Allowed 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.611 2.207 . . . . 10.0 112.269 179.54 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -75.27 129.66 81.95 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.679 -0.691 . . . . 10.0 109.847 179.602 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.39 100.57 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.664 2.242 . . . . 10.0 112.291 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.255 -0.879 . . . . 10.0 109.547 179.568 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.482 1.135 0 CA-C-O 120.624 0.25 . . . . 10.0 110.524 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -102.15 143.54 31.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.819 0.342 . . . . 10.0 111.383 -179.468 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.5 pt -132.61 163.0 38.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 177.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.508 ' O ' ' HA ' ' A' ' 66' ' ' THR . 47.3 m-85 -118.9 118.66 32.14 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.82 0.343 . . . . 10.0 110.898 -179.431 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.7 t -101.9 114.98 42.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.817 -0.438 . . . . 10.0 109.817 179.294 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -99.8 128.71 45.88 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.105 0.478 . . . . 10.0 110.69 -179.643 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.3 p -96.54 168.79 10.32 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.656 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.2 mt -64.45 -21.27 66.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.182 0.515 . . . . 10.0 110.271 179.106 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.82 -15.23 60.75 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.194 -0.912 . . . . 10.0 111.087 179.608 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.71 -1.96 64.14 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.845 -0.693 . . . . 10.0 111.714 -179.109 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -80.69 125.56 30.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.669 0.271 . . . . 10.0 110.316 -179.799 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -105.19 115.96 31.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.418 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.9 mt -103.41 128.94 56.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.728 -179.392 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.3 m -89.02 125.81 35.15 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.6 -0.518 . . . . 10.0 109.6 178.69 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.3 mt -123.17 146.99 47.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.871 0.367 . . . . 10.0 111.469 -179.28 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -97.71 112.72 24.49 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.684 178.851 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.8 m -135.76 -178.94 2.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.681 -0.691 . . . . 10.0 110.377 -179.541 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.467 ' O ' HD11 ' A' ' 56' ' ' LEU . 15.8 mm-40 -131.86 156.95 79.47 Favored Pre-proline 0 C--N 1.319 -0.722 0 N-CA-C 109.151 -0.685 . . . . 10.0 109.151 179.285 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.97 -36.93 93.62 Favored 'Trans proline' 0 CA--C 1.528 0.214 0 C-N-CA 122.081 1.854 . . . . 10.0 112.615 -179.768 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.04 15.9 4.67 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.234 0.457 . . . . 10.0 112.234 -179.117 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -81.7 146.56 29.95 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.196 -0.298 . . . . 10.0 110.196 179.597 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.409 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -89.95 144.81 25.6 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.809 -179.506 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.8 mm -57.7 -40.0 73.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.871 0.367 . . . . 10.0 110.8 179.715 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -62.1 -36.31 81.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.269 179.187 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -69.32 -36.96 77.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.723 179.5 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 22' ' ' THR . 95.5 t -64.72 -38.53 82.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.527 -0.76 . . . . 10.0 109.827 178.917 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.404 ' HD2' ' OD2' ' A' ' 52' ' ' ASP . 86.5 mttt -59.21 -41.17 87.95 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.477 178.819 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.44 -34.01 77.21 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.326 179.362 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -68.36 -37.87 80.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.893 -0.594 . . . . 10.0 109.846 179.091 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 88.1 mt -70.43 -37.03 69.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.284 -0.635 . . . . 10.0 109.284 178.514 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.424 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 64.6 tt0 -67.04 -27.48 67.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.729 -0.669 . . . . 10.0 109.847 178.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -69.67 -40.26 76.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.051 178.86 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -78.81 -61.93 1.86 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.822 -0.626 . . . . 10.0 111.796 -179.257 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -79.34 -47.66 15.42 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -177.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 108.68 -9.54 34.88 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.62 -0.8 . . . . 10.0 111.814 -179.05 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.0 mt -68.63 123.98 89.03 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.761 -0.219 . . . . 10.0 111.022 -179.746 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.7 147.78 58.45 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 123.097 2.531 . . . . 10.0 112.958 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -60.05 -21.4 65.16 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.093 2.529 . . . . 10.0 112.861 -179.608 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.61 -25.68 64.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.06 -179.66 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -103.1 6.76 38.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.67 -179.266 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -99.86 118.65 36.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.81 -179.198 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -122.25 97.71 5.6 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 177.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.1 mt -85.39 132.73 34.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.009 -0.541 . . . . 10.0 111.49 -179.023 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mt -129.48 135.38 61.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.973 179.719 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -131.37 124.82 31.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.295 -0.411 . . . . 10.0 110.375 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.14 11.94 4.71 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 123.71 0.631 . . . . 10.0 112.333 179.041 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.51 -11.42 35.96 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.796 -0.716 . . . . 10.0 112.672 179.742 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -102.73 142.99 32.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.787 0.293 . . . . 10.0 110.582 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -82.26 137.22 34.92 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.411 -0.588 . . . . 10.0 109.411 179.127 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.7 mt -85.82 138.12 32.29 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.818 -179.362 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -92.46 135.24 34.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.05 -0.523 . . . . 10.0 109.895 178.796 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.404 ' OD2' ' HD2' ' A' ' 27' ' ' LYS . 1.9 m-20 -53.7 -36.51 62.3 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.822 0.675 . . . . 10.0 112.822 -178.913 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.38 25.62 7.91 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.588 -0.815 . . . . 10.0 113.994 -178.575 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 73.2 mmt-85 -124.49 163.91 20.85 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 117.397 0.598 . . . . 10.0 110.671 179.826 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.3 p -104.16 170.4 7.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.526 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.467 HD11 ' O ' ' A' ' 18' ' ' GLU . 91.2 mt -67.26 -30.23 70.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.984 0.421 . . . . 10.0 110.361 179.26 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -23.79 64.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.206 179.523 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -68.68 -23.84 64.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.216 0.531 . . . . 10.0 110.704 -179.7 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -111.03 5.64 20.39 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.39 179.1 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 55.08 43.24 29.95 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 114.764 -1.107 . . . . 10.0 111.308 -179.85 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 68.4 mt -82.94 117.21 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.866 -0.606 . . . . 10.0 109.976 179.69 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -96.02 -175.91 3.53 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.283 179.738 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -71.6 156.54 39.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.8 0.333 . . . . 10.0 111.133 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 63.98 22.98 13.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.575 -0.739 . . . . 10.0 112.201 179.083 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.3 m -93.96 143.85 25.98 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.557 -0.535 . . . . 10.0 109.557 178.647 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.508 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 30.1 m -98.07 126.03 43.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.001 0.429 . . . . 10.0 111.528 -179.345 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -106.87 142.27 36.77 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.801 -0.814 . . . . 10.0 108.801 179.052 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -97.53 128.95 44.69 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.646 0.26 . . . . 10.0 110.357 -179.57 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.5 tp -111.67 108.87 18.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.007 0.432 . . . . 10.0 110.929 179.801 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.6 t -98.14 130.15 47.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.903 -0.589 . . . . 10.0 109.496 178.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.7 mt -88.67 125.97 35.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.492 -179.737 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -94.75 124.97 39.11 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.581 -179.847 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.3 mt -110.16 163.54 13.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.439 -0.346 . . . . 10.0 110.384 179.922 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -97.22 137.45 36.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.232 -0.44 . . . . 10.0 109.931 179.821 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.71 63.14 4.42 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 121.065 -0.588 . . . . 10.0 112.298 -179.698 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.516 ' C ' ' HZ2' ' B' ' 48' ' ' LYS . . . . . . . . 0 C--O 1.248 0.976 0 N-CA-C 110.774 -0.931 . . . . 10.0 110.774 179.501 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.485 1.28 0 CA-C-O 120.807 0.337 . . . . 10.0 110.256 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 -100.46 135.52 41.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.181 0.515 . . . . 10.0 111.595 -179.231 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 24.9 pt -120.86 163.26 18.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.432 -0.804 . . . . 10.0 109.672 178.687 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.493 ' O ' ' HA ' ' B' ' 66' ' ' THR . 72.7 m-85 -116.65 116.46 27.59 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.773 0.32 . . . . 10.0 111.034 -179.506 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 67.2 t -101.82 114.04 39.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.511 -0.551 . . . . 10.0 109.511 179.145 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -97.56 125.45 42.28 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.389 -0.369 . . . . 10.0 110.481 -179.041 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 19.3 p -101.12 163.69 12.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.799 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 86.6 mt -66.26 -19.58 65.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.311 179.567 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.67 2.31 26.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.024 179.666 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.67 24.62 64.57 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 121.091 -0.576 . . . . 10.0 112.416 179.651 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -108.16 121.01 43.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.798 0.333 . . . . 10.0 110.346 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -100.37 107.43 19.19 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.17 -0.468 . . . . 10.0 109.925 179.449 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 7.3 mt -97.79 136.25 29.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.019 -178.665 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.63 144.41 27.32 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.524 -0.547 . . . . 10.0 109.524 178.946 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 60.2 mt -140.34 144.24 36.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.738 0.304 . . . . 10.0 111.586 -179.306 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -94.93 99.5 11.52 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.977 -0.749 . . . . 10.0 108.977 178.567 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 17.0 m -121.09 164.35 17.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.764 -179.122 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.4 ' O ' HD12 ' B' ' 56' ' ' LEU . 23.1 mm-40 -116.89 156.96 47.49 Favored Pre-proline 0 C--N 1.316 -0.867 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.135 -179.668 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.55 -27.01 81.03 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.301 2.001 . . . . 10.0 111.906 179.382 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.29 5.88 50.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.729 -0.669 . . . . 10.0 111.606 -179.612 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -78.54 144.22 35.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.968 0.413 . . . . 10.0 110.426 -179.666 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.409 ' O ' HG21 ' B' ' 26' ' ' VAL . 0.2 OUTLIER -92.98 146.95 23.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.761 -179.128 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 46.7 mm -55.34 -37.49 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.413 -179.442 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -58.28 -43.5 88.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.711 179.43 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -69.58 -35.83 75.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.747 -179.821 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.409 HG21 ' O ' ' B' ' 22' ' ' THR . 81.1 t -61.38 -43.65 97.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.275 179.636 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -64.45 -32.75 74.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.822 179.7 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.18 -33.73 76.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 10.0 110.135 179.152 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -67.48 -34.75 77.79 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.288 179.292 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 59.5 mt -72.14 -33.13 45.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.558 178.891 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -68.3 -32.35 72.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.424 -0.807 . . . . 10.0 110.208 179.262 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -72.1 -36.45 69.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.92 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -80.39 -59.83 2.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.165 -0.471 . . . . 10.0 112.219 -179.146 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -86.59 -47.14 9.46 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.387 0.514 . . . . 10.0 112.387 -178.067 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.09 21.73 7.58 Favored Glycine 0 C--O 1.228 -0.237 0 C-N-CA 120.285 -0.959 . . . . 10.0 112.769 -179.743 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 57.8 mt -94.67 124.9 53.46 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.973 -0.38 . . . . 10.0 109.973 179.692 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.28 131.59 45.92 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.547 2.165 . . . . 10.0 112.251 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.81 -21.2 31.82 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.34 2.693 . . . . 10.0 113.175 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -71.37 -32.73 68.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.089 0.471 . . . . 10.0 110.243 179.547 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -89.66 -11.21 43.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.666 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -80.32 97.68 7.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.774 179.795 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.496 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 41.3 mtp180 -97.41 90.56 5.11 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 179.155 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 25.6 mt -76.76 130.27 37.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.652 -0.703 . . . . 10.0 111.653 -179.361 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mp -124.12 142.45 40.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.088 179.625 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -134.66 111.24 9.84 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.355 -0.609 . . . . 10.0 109.355 178.653 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.13 17.82 11.2 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.718 -0.674 . . . . 10.0 111.8 179.767 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.59 -3.99 42.96 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.675 -0.774 . . . . 10.0 112.795 179.603 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.516 ' HZ2' ' C ' ' A' ' 76' ' ' GLY . 46.7 mtmt -110.6 140.49 44.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.584 0.192 . . . . 10.0 110.534 -179.899 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.02 139.49 40.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.945 0.402 . . . . 10.0 110.517 179.513 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 62.1 mt -84.4 127.34 33.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.391 179.757 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.527 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 34.2 mt-10 -80.41 149.55 30.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.838 0.351 . . . . 10.0 110.299 179.439 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.67 -28.74 65.01 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.919 -0.582 . . . . 10.0 112.113 -178.198 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -94.02 31.21 6.78 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.935 -0.65 . . . . 10.0 113.417 -178.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.527 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 16.7 mmt180 -130.55 160.55 33.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 117.066 0.433 . . . . 10.0 109.984 179.565 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.48 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 56.7 p -105.04 171.11 7.49 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.096 -0.335 . . . . 10.0 110.096 179.348 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.4 HD12 ' O ' ' B' ' 18' ' ' GLU . 40.3 mt -64.28 -35.57 81.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.857 0.36 . . . . 10.0 111.167 -179.653 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 16.8 m -65.26 -22.83 66.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.098 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.48 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.8 m-20 -65.63 -30.28 70.98 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.196 -0.457 . . . . 10.0 111.295 -179.424 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -106.19 17.5 23.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.908 -178.549 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 64.01 22.57 12.99 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 120.712 0.291 . . . . 10.0 111.646 179.298 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 76.1 mt -77.28 128.14 38.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.885 0.374 . . . . 10.0 110.667 -179.559 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -128.2 -161.9 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.07 -0.513 . . . . 10.0 110.17 -179.429 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -69.49 148.57 49.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.642 0.258 . . . . 10.0 111.08 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 66.2 9.06 6.02 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.529 -0.759 . . . . 10.0 112.553 178.743 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 55.0 m -77.11 134.92 38.58 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.159 -0.311 . . . . 10.0 110.159 179.511 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.493 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 17.3 m -93.47 131.47 38.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.131 -179.816 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.8 mp -110.49 144.86 38.67 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.717 -0.674 . . . . 10.0 109.906 179.839 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.565 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 26.4 m80 -96.23 135.85 37.49 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.111 -0.495 . . . . 10.0 109.699 179.718 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 51.9 tp -126.14 112.45 15.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.289 0.566 . . . . 10.0 111.454 -179.614 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.496 ' HB ' ' HB2' ' B' ' 42' ' ' ARG . 23.0 t -83.64 122.09 37.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.575 -0.739 . . . . 10.0 109.858 179.119 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 10.5 mt -86.64 109.42 19.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.181 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.67 145.66 33.08 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.911 0.386 . . . . 10.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.57 171.57 9.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.07 -0.513 . . . . 10.0 109.763 179.424 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -151.84 -52.68 0.12 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.85 0.357 . . . . 10.0 110.593 179.504 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.62 35.18 23.25 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.697 -0.763 . . . . 10.0 111.994 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.87 -0.961 . . . . 10.0 111.078 -179.957 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 N--CA 1.476 0.86 0 N-CA-C 111.179 0.066 . . . . 10.0 111.179 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 1.7 m120 58.79 26.05 14.25 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.103 0.252 . . . . 10.0 110.901 -179.47 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.07 -50.95 65.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.064 -0.516 . . . . 10.0 112.154 -178.564 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 42.7 mm-40 -89.18 -32.28 17.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.914 0.388 . . . . 10.0 110.747 -179.879 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 64.6 mt -60.67 -48.6 81.05 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.822 -0.626 . . . . 10.0 111.17 -179.727 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -65.4 -36.83 85.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.612 -0.267 . . . . 10.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -66.62 -46.33 76.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.011 -179.87 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 74.0 mtm -64.41 -42.07 96.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.521 179.788 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -69.14 -30.95 69.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.237 -179.77 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -57.12 -44.98 83.8 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.553 -0.294 . . . . 10.0 111.322 -179.838 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 463' ' ' GLN . . . . . 0.432 ' NE2' ' HA ' ' D' ' 463' ' ' GLN . 4.6 tp60 -64.5 -34.54 78.45 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.739 -0.384 . . . . 10.0 110.872 -179.299 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 71.8 mt -69.41 -38.8 77.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.57 -0.53 . . . . 10.0 109.57 178.896 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -62.06 -35.7 79.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.283 -0.871 . . . . 10.0 111.007 179.697 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -72.12 -22.03 61.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.764 179.651 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 467' ' ' MET . . . . . 0.565 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 6.0 mtm -91.2 -26.66 18.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.16 -179.261 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 468' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -121.56 82.44 40.48 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 110.107 -0.331 . . . . 10.0 110.107 179.376 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -76.07 35.77 0.46 Allowed 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.939 2.426 . . . . 10.0 112.968 -179.075 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -150.5 13.21 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 10.0 111.177 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 471' ' ' VAL . . . . . . . . . . . . . 8.3 p -118.29 132.8 23.61 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.584 -0.28 . . . . 10.0 110.577 -179.754 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 472' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -58.87 126.71 21.92 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.44 2.093 . . . . 10.0 112.095 178.455 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -56.77 -37.23 70.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.687 -0.688 . . . . 10.0 112.166 -178.772 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 19.3 p-80 -65.96 -26.44 67.57 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.987 -0.285 . . . . 10.0 111.432 -179.411 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 475' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' D' ' 478' ' ' GLN . 25.7 mt -77.18 -32.01 55.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.365 . . . . 10.0 110.187 179.436 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 23.2 t -69.17 -41.1 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.556 179.288 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.98 -26.43 68.57 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.476 -0.784 . . . . 10.0 110.571 179.21 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 478' ' ' GLN . . . . . 0.417 ' HB3' ' O ' ' D' ' 475' ' ' LEU . 0.0 OUTLIER -64.17 -53.11 54.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.585 179.668 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -69.92 -34.75 73.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.255 -0.429 . . . . 10.0 110.793 -179.166 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.67 -32.32 67.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.48 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -88.04 -7.42 57.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.748 0.309 . . . . 10.0 111.239 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -100.07 -48.36 4.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.574 -0.285 . . . . 10.0 111.028 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 40.5 p -95.36 -35.43 11.77 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.449 -0.342 . . . . 10.0 111.307 -179.325 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.24 27.88 15.65 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.65 -0.705 . . . . 10.0 111.382 179.904 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 4.4 t -142.9 118.66 10.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.732 -0.667 . . . . 10.0 109.85 -179.847 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 33.1 m -59.83 -31.27 47.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.986 -179.41 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -63.89 -47.67 79.72 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.787 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 53.9 mt -73.25 -39.2 55.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.901 -179.809 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 489' ' ' THR . . . . . 0.419 ' O ' HG13 ' D' ' 493' ' ' ILE . 95.5 m -60.94 -47.57 85.8 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.048 0.388 . . . . 10.0 112.048 -179.216 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 4.5 p -64.12 -42.42 96.85 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.791 -0.364 . . . . 10.0 110.856 -179.601 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -65.51 -34.61 78.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.136 -0.484 . . . . 10.0 109.932 179.154 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 492' ' ' ASN . . . . . 0.406 ' HB3' ' HB3' ' D' ' 497' ' ' ARG . 35.4 m-20 -62.1 -37.8 86.44 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 115.385 -0.825 . . . . 10.0 110.748 179.075 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 493' ' ' ILE . . . . . 0.419 HG13 ' O ' ' D' ' 489' ' ' THR . 71.2 mt -69.19 -39.73 79.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.34 0.59 . . . . 10.0 109.654 178.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.14 36.07 0.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.346 -0.843 . . . . 10.0 110.969 179.617 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -149.78 -65.53 0.21 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.537 179.605 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 145.17 39.47 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.744 -0.741 . . . . 10.0 113.074 179.528 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 497' ' ' ARG . . . . . 0.406 ' HB3' ' HB3' ' D' ' 492' ' ' ASN . 13.3 tpp180 -89.02 -35.55 16.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.233 0.54 . . . . 10.0 110.137 179.302 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 52.9 mt -96.61 137.16 25.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.614 -0.721 . . . . 10.0 109.549 179.662 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -69.98 116.09 9.95 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.274 -179.738 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 36.0 m -62.85 155.19 72.55 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.217 -179.626 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -64.53 103.71 0.48 Allowed 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.622 2.215 . . . . 10.0 111.34 179.664 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -106.29 117.87 56.21 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.881 -178.877 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -65.38 110.73 1.65 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.439 2.093 . . . . 10.0 112.135 179.844 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.253 1.274 0 CA-C-O 117.655 -1.164 . . . . 10.0 109.235 -179.936 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 110.168 -0.308 . . . . 10.0 110.168 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -120.25 141.73 49.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.553 0.216 . . . . 10.0 110.933 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.1 pt -126.64 155.02 37.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.496 -0.557 . . . . 10.0 109.496 178.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.452 ' O ' ' HA ' ' A' ' 66' ' ' THR . 93.2 m-85 -115.2 122.41 45.95 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.731 0.3 . . . . 10.0 111.075 -179.137 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.8 t -110.05 125.1 67.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 178.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.9 tttp -111.26 130.52 55.63 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.883 0.373 . . . . 10.0 111.292 -178.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.36 173.12 8.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.627 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 mt -64.26 -24.0 67.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.221 0.534 . . . . 10.0 111.221 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.32 -3.61 46.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.96 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.93 -17.06 60.03 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.763 -0.732 . . . . 10.0 111.536 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.0 tttp -57.7 135.11 56.71 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 122.961 0.504 . . . . 10.0 110.568 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -127.41 125.92 41.5 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.711 0.291 . . . . 10.0 110.627 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.6 pt -116.21 148.18 19.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.997 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -104.28 125.56 50.64 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.422 -0.585 . . . . 10.0 109.422 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -115.76 135.06 54.39 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.953 0.406 . . . . 10.0 111.712 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -85.3 113.52 21.69 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.413 -0.812 . . . . 10.0 109.369 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.9 m -142.66 176.18 3.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.099 0.476 . . . . 10.0 111.425 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.514 ' O ' HD12 ' A' ' 56' ' ' LEU . 40.3 mm-40 -134.64 157.78 76.51 Favored Pre-proline 0 C--N 1.321 -0.669 0 N-CA-C 108.604 -0.887 . . . . 10.0 108.604 179.093 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -50.72 -36.33 50.87 Favored 'Trans proline' 0 CA--C 1.533 0.445 0 C-N-CA 122.324 2.016 . . . . 10.0 112.545 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.88 -6.52 47.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.75 -0.659 . . . . 10.0 112.482 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.53 139.83 45.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.788 0.328 . . . . 10.0 110.128 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.433 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -91.29 148.05 22.61 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.963 -179.388 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 51.5 mm -57.42 -38.86 65.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.989 0.423 . . . . 10.0 110.298 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 35.4 tt0 -62.87 -34.91 78.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.22 178.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.481 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 54.7 t30 -75.27 -38.94 60.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.205 -0.452 . . . . 10.0 109.793 179.234 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 22' ' ' THR . 96.6 t -63.18 -45.28 98.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.682 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 14.8 ptmt -66.53 -28.07 68.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.98 0.419 . . . . 10.0 110.443 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.08 -33.09 73.89 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.589 -0.523 . . . . 10.0 109.589 178.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 67.8 mttt -66.64 -41.55 88.12 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.291 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 31.2 mt -66.84 -32.16 56.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.375 0.607 . . . . 10.0 109.63 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -64.56 -34.71 78.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.321 -0.854 . . . . 10.0 110.74 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -88.74 -32.0 18.14 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.488 -0.323 . . . . 10.0 111.681 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -80.01 -47.93 14.14 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.394 0.516 . . . . 10.0 112.394 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -98.76 -21.41 16.39 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.909 0.337 . . . . 10.0 111.909 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.1 14.52 64.29 Favored Glycine 0 CA--C 1.517 0.172 0 C-N-CA 120.677 -0.773 . . . . 10.0 113.113 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.1 mt -87.79 120.9 71.05 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 122.847 -0.208 . . . . 10.0 110.772 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 32.2 Cg_exo -58.06 138.31 85.29 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.721 2.281 . . . . 10.0 112.535 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 29.8 Cg_exo -60.33 -23.16 73.67 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.898 2.398 . . . . 10.0 112.487 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -69.1 -19.53 64.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.951 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.474 ' O ' ' HA ' ' A' ' 71' ' ' LEU . 85.6 mt-30 -114.16 10.69 17.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.064 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -98.1 106.54 18.84 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.013 0.435 . . . . 10.0 111.532 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -109.53 103.74 12.67 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.8 mt -91.82 118.24 30.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.982 0.42 . . . . 10.0 111.407 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mp -115.04 133.49 61.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.339 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.501 ' HB3' HD21 ' A' ' 50' ' ' LEU . 63.8 t80 -134.88 121.46 20.62 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.581 -0.526 . . . . 10.0 109.581 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.97 33.43 19.78 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.616 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.25 -21.84 15.15 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.901 -0.666 . . . . 10.0 112.92 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -94.2 147.44 23.17 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.258 -0.275 . . . . 10.0 110.258 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -92.66 137.06 32.69 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.709 -0.478 . . . . 10.0 109.709 179.268 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.501 HD21 ' HB3' ' A' ' 45' ' ' PHE . 18.7 mt -88.89 144.66 26.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.479 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.419 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 40.2 mt-10 -91.22 151.76 20.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.004 -0.369 . . . . 10.0 110.004 179.166 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.9 -50.71 72.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.047 -0.524 . . . . 10.0 112.234 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.16 49.67 4.03 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 121.074 -0.584 . . . . 10.0 113.925 -178.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.422 ' HG3' ' OH ' ' A' ' 59' ' ' TYR . 21.9 mmt180 -138.82 156.9 46.95 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.724 -0.473 . . . . 10.0 109.724 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.526 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 45.4 p -98.06 171.73 8.07 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.919 -0.401 . . . . 10.0 109.919 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.514 HD12 ' O ' ' A' ' 18' ' ' GLU . 81.7 mt -70.05 -31.49 69.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.881 0.372 . . . . 10.0 110.35 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -21.67 60.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.367 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.526 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.7 OUTLIER -60.52 -30.91 70.04 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.947 179.693 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.466 ' CD2' HD22 ' A' ' 50' ' ' LEU . 74.8 m-85 -111.9 8.51 20.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.356 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 57.8 t30 57.81 43.14 22.25 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.406 -0.816 . . . . 10.0 111.645 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 76.4 mt -77.81 119.05 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.481 -0.563 . . . . 10.0 109.481 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -91.95 174.83 7.13 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.663 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -68.29 151.79 46.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.294 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 64.29 30.68 13.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.687 -0.688 . . . . 10.0 111.827 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.2 m -92.22 143.94 25.91 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.77 -0.456 . . . . 10.0 109.77 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 1.7 m -99.31 124.05 44.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.067 0.461 . . . . 10.0 111.482 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -110.9 142.55 42.82 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.222 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -98.66 124.82 43.71 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.765 0.317 . . . . 10.0 110.492 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.0 tp -106.13 108.78 20.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.141 0.496 . . . . 10.0 111.263 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.5 t -103.86 139.1 25.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.8 -0.637 . . . . 10.0 109.289 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.474 ' HA ' ' O ' ' A' ' 40' ' ' GLN . 55.1 mt . . . . . 0 C--N 1.324 -0.5 0 CA-C-O 121.159 0.504 . . . . 10.0 111.212 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ptt? . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 109.921 -0.4 . . . . 10.0 109.921 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -110.59 138.47 46.93 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.42 -0.512 . . . . 10.0 110.703 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 30.2 pt -121.23 168.35 13.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.903 -0.589 . . . . 10.0 109.944 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -124.89 118.63 26.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.199 0.523 . . . . 10.0 111.542 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 43.7 t -98.01 122.56 49.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.663 -0.699 . . . . 10.0 109.472 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -101.34 125.65 48.0 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.157 0.503 . . . . 10.0 111.006 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.44 157.58 16.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.508 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 47.9 mt -61.66 -18.17 58.43 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.003 0.371 . . . . 10.0 112.003 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.53 -4.42 59.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.814 0.34 . . . . 10.0 111.5 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.56 10.02 59.56 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.972 -0.632 . . . . 10.0 112.027 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 24.3 tttp -83.42 139.5 32.93 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.359 -0.237 . . . . 10.0 110.359 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -116.37 114.32 24.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.475 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 7.9 mt -103.18 130.67 53.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.526 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.4 m -98.42 127.2 44.25 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.823 -0.436 . . . . 10.0 109.823 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 33.2 mt -126.23 134.07 51.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.811 0.339 . . . . 10.0 111.302 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -95.02 109.42 21.45 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.785 -0.82 . . . . 10.0 108.785 178.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.449 HG12 ' NZ ' ' B' ' 29' ' ' LYS . 30.4 m -136.22 -179.93 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.035 -0.53 . . . . 10.0 111.301 -178.7 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -127.46 155.21 77.08 Favored Pre-proline 0 C--N 1.317 -0.809 0 N-CA-C 109.01 -0.737 . . . . 10.0 109.01 178.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -56.6 -23.87 50.94 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.49 2.127 . . . . 10.0 112.566 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -85.47 6.04 28.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.036 -0.529 . . . . 10.0 112.009 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -83.19 153.22 24.86 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 120.863 0.363 . . . . 10.0 110.402 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.432 ' O ' HG23 ' B' ' 26' ' ' VAL . 4.2 p -94.86 151.71 18.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.348 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 40.8 mm -59.43 -36.64 65.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.226 0.536 . . . . 10.0 110.168 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -42.7 99.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.617 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -68.52 -38.25 80.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.841 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.433 ' O ' HG13 ' B' ' 30' ' ' ILE . 98.3 t -59.44 -44.94 93.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.888 0.375 . . . . 10.0 110.25 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -67.82 -31.16 70.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.792 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.77 -34.12 76.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.146 0.498 . . . . 10.0 109.791 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.449 ' NZ ' HG12 ' B' ' 17' ' ' VAL . 98.1 mttt -69.85 -32.27 70.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.004 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.433 HG13 ' O ' ' B' ' 26' ' ' VAL . 56.9 mt -69.51 -31.07 47.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.59 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -71.84 -24.42 61.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.916 -0.584 . . . . 10.0 109.613 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -77.65 -31.23 52.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.545 -0.752 . . . . 10.0 110.846 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 69.2 mttt -95.58 -45.13 7.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.449 -0.341 . . . . 10.0 111.804 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -96.16 -51.4 4.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.793 0.33 . . . . 10.0 111.534 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.61 -6.49 26.2 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.584 -0.817 . . . . 10.0 112.395 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 26.5 mt -63.95 128.19 92.66 Favored Pre-proline 0 C--N 1.327 -0.394 0 N-CA-C 110.689 -0.115 . . . . 10.0 110.689 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -61.59 131.38 35.49 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.5 2.133 . . . . 10.0 111.797 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.16 -22.31 55.84 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.011 2.474 . . . . 10.0 112.975 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -66.79 -33.42 75.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.3 0.571 . . . . 10.0 110.814 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -98.07 6.77 47.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.549 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -103.22 109.64 21.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.428 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -104.45 107.65 18.69 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.179 -0.674 . . . . 10.0 109.179 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.476 ' HB3' HD12 ' B' ' 50' ' ' LEU . 18.1 mt -84.79 119.85 25.77 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.078 0.466 . . . . 10.0 110.911 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -115.37 142.68 27.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.512 -0.767 . . . . 10.0 109.432 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -132.43 110.79 10.77 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.044 -0.525 . . . . 10.0 109.718 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.0 27.57 16.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.732 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.17 -12.74 62.02 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.832 -0.699 . . . . 10.0 113.38 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.5 143.32 28.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 117.011 0.406 . . . . 10.0 109.982 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.455 HE21 ' HB3' ' B' ' 49' ' ' GLN . 1.1 tt0 -86.26 135.54 33.51 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.32 -0.252 . . . . 10.0 110.32 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.476 HD12 ' HB3' ' B' ' 43' ' ' LEU . 27.3 mt -91.27 120.11 31.89 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.99 -0.374 . . . . 10.0 109.99 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.477 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 28.0 mt-10 -68.64 136.96 53.78 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 179.514 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -54.36 -42.44 70.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.987 -0.552 . . . . 10.0 112.041 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.05 53.89 4.24 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.817 -0.706 . . . . 10.0 113.21 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.477 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 31.2 mmt180 -141.4 174.04 10.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.778 0.289 . . . . 10.0 110.293 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 41.1 p -115.15 172.69 6.92 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.551 -0.537 . . . . 10.0 109.551 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 84.1 mt -69.8 -30.6 68.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.985 0.422 . . . . 10.0 110.477 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.51 -20.77 64.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.909 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -70.37 -32.74 70.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.765 0.317 . . . . 10.0 111.713 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -109.59 12.24 24.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.471 -0.331 . . . . 10.0 110.771 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 60.68 31.82 20.2 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.627 -0.715 . . . . 10.0 111.592 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 66.0 mt -72.15 112.98 8.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.06 0.457 . . . . 10.0 109.93 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -97.82 -167.48 1.53 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.62 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.5 155.78 33.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.814 0.34 . . . . 10.0 110.957 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 59.26 17.99 6.23 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.595 -0.729 . . . . 10.0 112.833 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 10.6 m -78.89 148.17 32.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.597 0.237 . . . . 10.0 110.467 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 18.0 m -88.68 119.13 28.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.131 0.491 . . . . 10.0 111.358 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -102.08 124.47 47.74 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.279 -0.638 . . . . 10.0 109.279 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.448 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 29.5 m80 -89.04 124.5 34.34 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.574 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 36.9 tp -100.12 107.37 19.24 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.873 0.368 . . . . 10.0 110.433 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.543 HG13 ' HB ' ' D' ' 490' ' ' THR . 70.6 t -101.13 140.45 19.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.517 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 12.2 mt -100.28 165.62 11.38 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.863 -0.421 . . . . 10.0 109.863 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.554 ' HG3' ' OD1' ' D' ' 491' ' ' ASP . 14.6 ttt180 . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 116.714 -0.221 . . . . 10.0 110.691 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 121.059 0.457 . . . . 10.0 111.124 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -69.0 -34.18 74.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.805 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 97.7 mt -63.87 -46.58 84.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.543 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -63.53 -42.78 98.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.822 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.23 -40.39 93.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.547 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 74.3 mtm -72.99 -41.17 64.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.817 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.61 -45.09 91.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.945 -0.57 . . . . 10.0 111.221 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -58.73 -36.14 73.83 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.605 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 463' ' ' GLN . . . . . 0.511 ' O ' ' HG2' ' D' ' 467' ' ' MET . 24.5 tp60 -61.59 -42.08 98.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.196 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 74.6 mt -72.44 -32.53 42.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.149 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 38.5 tp60 -61.24 -30.6 70.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.202 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -76.32 -29.68 57.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.938 -0.573 . . . . 10.0 110.287 178.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 467' ' ' MET . . . . . 0.511 ' HG2' ' O ' ' D' ' 463' ' ' GLN . 31.1 mmm -76.36 -44.11 37.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.227 0.537 . . . . 10.0 110.202 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 468' ' ' PHE . . . . . 0.452 ' O ' HG12 ' D' ' 471' ' ' VAL . 5.1 m-85 -116.91 92.55 39.12 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.61 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -78.26 33.48 0.47 Allowed 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.776 2.317 . . . . 10.0 112.369 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -152.71 29.95 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.951 -179.13 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 471' ' ' VAL . . . . . 0.452 HG12 ' O ' ' D' ' 468' ' ' PHE . 12.8 p -125.43 133.71 25.12 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.384 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 472' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' D' ' 471' ' ' VAL . 53.1 Cg_exo -58.3 119.36 6.57 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.635 2.223 . . . . 10.0 112.237 179.153 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -53.05 -40.41 63.96 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.449 -0.796 . . . . 10.0 112.681 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 44.9 p-80 -68.62 -27.56 66.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.587 0.232 . . . . 10.0 111.601 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 475' ' ' LEU . . . . . 0.441 ' O ' ' HB3' ' D' ' 478' ' ' GLN . 24.1 mt -77.67 -30.52 52.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.896 0.379 . . . . 10.0 110.0 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 476' ' ' VAL . . . . . 0.412 HG23 ' O ' ' D' ' 472' ' ' PRO . 44.9 t -66.99 -46.75 84.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.461 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 477' ' ' LEU . . . . . 0.415 ' O ' ' HG3' ' D' ' 481' ' ' GLN . 23.8 mt -63.67 -24.62 67.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.792 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 478' ' ' GLN . . . . . 0.441 ' HB3' ' O ' ' D' ' 475' ' ' LEU . 18.6 tt0 -66.44 -55.74 14.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.985 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -67.17 -29.47 69.17 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.537 -0.302 . . . . 10.0 110.605 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 480' ' ' LEU . . . . . 0.477 ' HA ' HD13 ' D' ' 480' ' ' LEU . 0.2 OUTLIER -61.05 -24.69 66.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.299 179.702 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 481' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' D' ' 477' ' ' LEU . 72.8 mt-30 -89.64 -17.38 28.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.036 0.446 . . . . 10.0 110.533 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 482' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' D' ' 482' ' ' LEU . 3.5 mm? -92.31 -59.14 2.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.846 -0.616 . . . . 10.0 111.1 -179.353 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 40.8 p -82.18 -42.93 18.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.732 0.301 . . . . 10.0 110.781 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 15.4 mtt180 63.25 28.32 15.75 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.615 -0.72 . . . . 10.0 110.509 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.44 116.16 6.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.434 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 28.1 m -59.26 -23.51 25.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.641 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -69.1 -23.73 64.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.045 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 9.2 mt -108.48 -33.04 2.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.039 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 489' ' ' THR . . . . . 0.476 HG21 HD22 ' D' ' 480' ' ' LEU . 41.8 m -59.64 -57.81 11.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.494 -0.321 . . . . 10.0 111.509 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 490' ' ' THR . . . . . 0.543 ' HB ' HG13 ' B' ' 70' ' ' VAL . 0.2 OUTLIER -61.21 -29.38 69.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.11 0.481 . . . . 10.0 110.729 -179.828 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 491' ' ' ASP . . . . . 0.554 ' OD1' ' HG3' ' B' ' 72' ' ' ARG . 21.2 t0 -68.77 -49.09 61.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.526 -0.761 . . . . 10.0 109.572 178.698 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -54.21 -36.67 63.73 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.575 -0.739 . . . . 10.0 111.135 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 67.7 mt -65.92 -46.36 88.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.444 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.22 -36.09 83.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.36 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 495' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' D' ' 491' ' ' ASP . 18.9 mm-40 -67.14 -43.04 83.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.937 0.399 . . . . 10.0 110.817 179.581 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 124.77 25.14 1.6 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.841 -0.695 . . . . 10.0 112.8 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -82.69 -22.94 34.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.147 0.499 . . . . 10.0 110.09 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 1.5 mp -101.87 142.22 16.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.523 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 . . . . . 0 C--N 1.326 -0.421 0 CA-C-O 120.948 0.404 . . . . 10.0 111.153 -179.729 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.479 0.983 0 N-CA-C 110.01 -0.367 . . . . 10.0 110.01 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -115.45 137.72 51.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.876 0.369 . . . . 10.0 111.343 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.9 pt -124.8 161.07 29.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.958 -0.564 . . . . 10.0 109.826 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -113.88 117.24 30.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.807 0.337 . . . . 10.0 110.658 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 42.1 t -102.41 119.47 50.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.349 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -100.47 131.02 46.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.946 0.403 . . . . 10.0 110.584 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.4 p -99.86 167.47 10.5 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.412 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.83 -16.6 63.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.882 0.373 . . . . 10.0 111.349 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.27 -16.88 38.65 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.134 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.05 -0.82 41.09 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.088 -0.577 . . . . 10.0 112.71 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -79.54 135.29 36.58 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.361 0.264 . . . . 10.0 110.455 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -107.67 123.26 48.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.43 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.1 mt -108.82 137.62 39.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.333 -178.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.43 130.85 47.74 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.704 178.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.0 mt -128.52 138.94 52.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.282 0.563 . . . . 10.0 112.082 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -89.37 100.73 13.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.065 -0.971 . . . . 10.0 108.988 178.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.0 m -132.02 176.5 8.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.02 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.571 ' O ' HD12 ' A' ' 56' ' ' LEU . 7.8 mm-40 -134.52 156.97 78.34 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 108.676 -0.861 . . . . 10.0 108.676 179.144 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.48 -35.86 77.71 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.621 2.214 . . . . 10.0 113.19 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.23 5.47 34.14 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.421 0.526 . . . . 10.0 112.421 -179.077 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -74.8 141.58 44.32 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 110.016 -0.364 . . . . 10.0 110.016 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.418 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -78.47 142.6 37.37 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.122 -179.362 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.1 mm -56.51 -42.3 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.771 0.319 . . . . 10.0 110.854 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -60.07 -40.59 90.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.438 . . . . 10.0 110.604 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.55 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 65.0 t30 -64.11 -39.28 93.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.907 -0.588 . . . . 10.0 109.848 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 22' ' ' THR . 76.0 t -62.4 -41.97 93.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.018 -0.537 . . . . 10.0 109.661 178.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -61.42 -38.25 86.45 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.034 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.38 -32.62 74.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.627 -0.715 . . . . 10.0 110.694 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.55 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 51.2 mttt -71.18 -34.7 71.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 10.0 109.956 179.127 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 93.2 mt -66.14 -43.85 91.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.749 179.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -66.18 -30.0 70.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.312 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -67.7 -39.14 84.42 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -86.75 -45.63 10.75 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.0 0.37 . . . . 10.0 112.0 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -87.48 -62.89 1.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.763 0.316 . . . . 10.0 111.638 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.15 -19.76 5.7 Favored Glycine 0 C--O 1.23 -0.117 0 C-N-CA 120.897 -0.668 . . . . 10.0 112.116 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.3 mt -64.78 124.69 87.1 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.751 -0.224 . . . . 10.0 110.591 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.454 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 37.3 Cg_exo -56.79 146.11 79.65 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.795 2.33 . . . . 10.0 112.255 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 31.5 Cg_exo -59.04 -20.74 55.26 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.685 2.257 . . . . 10.0 112.298 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.52 -35.23 79.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.027 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -98.73 7.42 46.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.819 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -96.27 102.52 14.32 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.219 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -103.86 100.7 10.49 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.82 -0.437 . . . . 10.0 109.82 178.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.5 mt -88.49 117.28 27.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.887 -0.597 . . . . 10.0 111.001 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mp -116.09 130.5 70.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.509 -0.769 . . . . 10.0 109.6 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -118.79 107.68 13.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.527 -0.306 . . . . 10.0 110.244 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.15 27.18 16.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.653 -0.703 . . . . 10.0 111.537 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.76 -26.85 21.98 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.927 -0.654 . . . . 10.0 112.612 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -86.47 128.79 35.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.543 0.211 . . . . 10.0 110.534 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -77.99 136.87 38.04 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.748 -0.464 . . . . 10.0 109.748 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.4 mt -88.37 130.48 35.14 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.979 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.514 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 83.9 mt-10 -88.87 136.58 32.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.719 179.02 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -60.96 -25.25 66.7 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.118 -0.492 . . . . 10.0 112.271 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.51 14.83 49.37 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.86 -0.686 . . . . 10.0 113.365 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.514 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 14.5 mmt180 -123.36 177.33 5.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.191 0.495 . . . . 10.0 110.334 179.458 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.467 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 13.4 p -116.08 173.62 6.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.342 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 18' ' ' GLU . 95.9 mt -65.59 -36.44 83.76 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.859 0.361 . . . . 10.0 111.033 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.7 p -65.66 -25.65 67.44 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.932 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.467 ' HB2' ' O ' ' A' ' 55' ' ' THR . 3.4 m-20 -61.74 -30.3 70.68 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.268 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -110.65 14.24 22.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.367 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 60.95 28.96 18.71 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.686 -0.688 . . . . 10.0 111.73 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 77.5 mt -76.8 114.35 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.022 0.439 . . . . 10.0 110.237 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -108.79 -160.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.557 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -77.11 154.75 32.95 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.608 0.242 . . . . 10.0 110.363 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 67.0 15.59 10.18 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.826 -0.624 . . . . 10.0 112.01 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.8 m -81.73 150.63 27.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.576 0.227 . . . . 10.0 110.433 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 35.7 m -105.15 120.18 40.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.155 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.7 mp -106.83 129.17 54.72 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.388 -0.597 . . . . 10.0 109.388 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -94.13 123.8 37.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.689 0.28 . . . . 10.0 110.457 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.5 tp -105.9 109.54 21.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.236 0.541 . . . . 10.0 111.17 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 68.8 t -100.26 138.73 23.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.621 -0.718 . . . . 10.0 109.731 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 67.9 mt . . . . . 0 C--N 1.324 -0.533 0 CA-C-O 120.979 0.419 . . . . 10.0 110.891 -179.529 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.487 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 25.6 ptt? . . . . . 0 N--CA 1.479 0.979 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -97.76 129.91 44.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.899 0.381 . . . . 10.0 111.414 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 20.4 pt -127.74 161.92 34.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.966 -0.561 . . . . 10.0 109.702 178.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -118.83 128.87 54.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.957 0.408 . . . . 10.0 111.035 -179.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 39.9 t -110.84 125.92 68.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.178 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 27.2 mttt -98.29 135.03 40.49 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.587 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.505 HG22 HD23 ' B' ' 69' ' ' LEU . 39.1 p -105.07 170.57 7.79 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.429 -0.35 . . . . 10.0 110.262 179.343 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 92.5 mt -74.21 -10.93 60.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.255 -0.43 . . . . 10.0 111.742 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -93.8 -12.0 30.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.887 0.375 . . . . 10.0 111.001 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.98 -9.2 46.67 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.969 -0.634 . . . . 10.0 112.532 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -73.87 141.35 46.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.721 0.296 . . . . 10.0 110.519 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.6 m -111.86 123.28 49.9 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.1 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 24.3 mt -100.07 135.01 37.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.557 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p -99.45 125.46 45.18 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.945 -0.391 . . . . 10.0 109.945 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 74.7 mt -126.31 134.34 51.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.104 0.478 . . . . 10.0 111.08 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -107.38 89.04 2.88 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.628 -0.715 . . . . 10.0 109.218 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.487 ' O ' ' HG2' ' B' ' 1' ' ' MET . 10.7 m -123.19 164.77 20.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.65 -178.656 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -106.14 155.89 37.74 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.178 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.44 -28.87 46.29 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 122.798 2.332 . . . . 10.0 113.298 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.74 -4.7 47.63 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.463 0.542 . . . . 10.0 112.463 -179.001 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -72.04 150.35 44.06 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.245 0.545 . . . . 10.0 111.064 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.436 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.2 OUTLIER -96.2 147.85 23.33 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.727 -0.669 . . . . 10.0 110.625 -179.477 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.459 HG12 ' O ' ' B' ' 54' ' ' ARG . 51.9 mm -55.56 -45.25 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 116.603 -0.271 . . . . 10.0 111.501 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -59.31 -42.87 92.36 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.896 0.379 . . . . 10.0 110.656 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.449 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 61.8 t30 -63.86 -37.52 87.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.282 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.436 HG23 ' O ' ' B' ' 22' ' ' THR . 83.1 t -64.3 -44.72 97.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.199 179.367 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt -62.66 -37.16 85.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.578 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.43 -37.2 80.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.596 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 36.0 mttt -69.38 -38.03 77.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.11 179.447 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 78.0 mt -66.16 -34.76 72.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 109.3 -0.629 . . . . 10.0 109.3 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.4 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 37.2 tt0 -66.73 -31.05 71.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.285 -0.87 . . . . 10.0 109.826 178.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -76.31 -30.33 57.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.844 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -84.28 -67.03 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.879 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -77.32 -37.11 53.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.425 . . . . 10.0 112.1 -178.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 95.26 36.08 5.54 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.43 -0.891 . . . . 10.0 111.738 -178.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 53.1 mt -111.21 120.23 43.58 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 110.059 -0.349 . . . . 10.0 110.059 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 51.3 Cg_exo -53.54 140.54 64.67 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.828 2.352 . . . . 10.0 112.358 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 51.5 Cg_exo -55.61 -21.57 31.88 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 123.13 2.553 . . . . 10.0 113.163 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.35 -36.9 79.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.656 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -90.76 1.06 57.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.989 -178.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -95.21 110.67 22.61 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.363 -0.381 . . . . 10.0 110.786 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.438 HH12 ' HG2' ' D' ' 495' ' ' GLU . 0.0 OUTLIER -116.45 91.07 3.48 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 178.826 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 21.1 mt -78.63 127.85 32.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.952 -0.567 . . . . 10.0 111.52 -178.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mp -122.7 139.28 50.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.475 -0.784 . . . . 10.0 110.013 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.464 ' HB3' HD21 ' B' ' 50' ' ' LEU . 51.8 t80 -134.54 122.3 22.2 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 178.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.21 20.88 12.54 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.482 0.489 . . . . 10.0 111.544 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.3 2.25 64.02 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.846 -0.692 . . . . 10.0 113.07 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -118.85 145.8 45.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.146 0.473 . . . . 10.0 110.503 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.88 143.4 39.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.997 0.427 . . . . 10.0 111.28 -179.362 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.464 HD21 ' HB3' ' B' ' 45' ' ' PHE . 46.6 mt -93.36 119.21 32.21 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.396 -0.82 . . . . 10.0 109.202 178.598 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.528 ' HB2' ' HG2' ' B' ' 54' ' ' ARG . 2.2 mt-10 -74.34 135.68 42.5 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.792 -0.447 . . . . 10.0 109.792 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.36 -38.97 60.13 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.245 0.832 . . . . 10.0 113.245 -178.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.15 22.07 7.49 Favored Glycine 0 CA--C 1.521 0.41 0 C-N-CA 120.879 -0.677 . . . . 10.0 114.652 -178.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.528 ' HG2' ' HB2' ' B' ' 51' ' ' GLU . 23.2 mmt180 -117.02 167.22 11.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 117.832 0.816 . . . . 10.0 110.372 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.56 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 32.0 p -107.02 173.77 6.18 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.051 179.159 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 79.3 mt -67.39 -35.68 79.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.129 0.49 . . . . 10.0 110.33 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 13.7 m -70.56 -19.63 62.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.689 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.56 ' HB2' ' O ' ' B' ' 55' ' ' THR . 0.6 OUTLIER -61.52 -31.57 71.58 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.573 179.725 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -110.05 11.76 23.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.404 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 58.23 39.11 26.11 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.371 -0.831 . . . . 10.0 111.622 179.422 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 70.9 mt -77.47 127.19 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.582 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -108.09 -174.21 2.47 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.719 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -74.49 155.11 38.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.747 0.308 . . . . 10.0 110.77 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 64.72 16.32 10.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.427 -0.806 . . . . 10.0 112.149 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 23.5 m -81.68 153.24 26.71 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.104 -0.332 . . . . 10.0 110.104 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.8 m -102.04 123.21 45.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.787 0.327 . . . . 10.0 111.251 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 mp -109.61 137.22 47.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.079 -0.51 . . . . 10.0 109.655 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -95.72 125.5 40.34 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.793 0.33 . . . . 10.0 110.992 -179.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.505 HD23 HG22 ' B' ' 7' ' ' THR . 68.3 tp -107.35 103.59 12.99 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.878 0.371 . . . . 10.0 110.205 179.111 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 28.3 t -93.63 136.16 26.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.064 -0.517 . . . . 10.0 110.207 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.456 ' O ' ' HB2' ' D' ' 491' ' ' ASP . 75.2 mt -93.78 146.81 23.6 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 179.065 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.525 ' HG3' ' OD2' ' D' ' 491' ' ' ASP . 48.6 ttt-85 . . . . . 0 C--N 1.322 -0.599 0 CA-C-O 120.969 0.414 . . . . 10.0 110.539 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 120.9 0.381 . . . . 10.0 110.457 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -65.01 -36.82 85.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.372 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 51.7 mt -69.19 -43.38 74.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.961 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -65.21 -41.85 94.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.417 . . . . 10.0 110.528 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -65.14 -40.79 94.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.565 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 3.4 mtm -64.33 -43.35 94.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.755 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -59.35 -36.95 76.67 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.222 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -59.57 -36.68 76.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.698 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 463' ' ' GLN . . . . . 0.513 ' O ' ' HG2' ' D' ' 467' ' ' MET . 30.2 tp60 -64.69 -39.3 93.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.385 -0.37 . . . . 10.0 110.096 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 55.5 mt -66.25 -37.92 80.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.453 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -61.82 -26.89 68.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.628 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -83.72 -14.42 51.68 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.981 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 467' ' ' MET . . . . . 0.513 ' HG2' ' O ' ' D' ' 463' ' ' GLN . 74.4 mmm -96.59 -42.0 8.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.351 0.596 . . . . 10.0 109.924 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 468' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -122.99 91.32 49.93 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.843 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -81.35 30.69 0.52 Allowed 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.799 2.333 . . . . 10.0 111.735 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -133.57 14.12 4.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.168 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 471' ' ' VAL . . . . . . . . . . . . . 7.9 p -123.83 129.29 24.85 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.176 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 472' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -57.15 126.9 23.62 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.639 2.226 . . . . 10.0 112.09 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -55.29 -36.89 66.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.546 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -66.44 -22.14 66.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.487 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 21.3 mt -86.38 -30.37 22.19 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 45.8 t -68.42 -47.28 78.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.464 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 477' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' D' ' 481' ' ' GLN . 78.3 mt -60.77 -26.97 67.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.641 -0.709 . . . . 10.0 110.939 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -63.43 -57.9 8.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.476 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -70.41 -29.39 66.0 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.654 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -26.02 66.27 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.839 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 481' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' D' ' 477' ' ' LEU . 77.5 mt-30 -85.29 -17.35 37.16 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.792 0.329 . . . . 10.0 110.586 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -94.31 -61.18 1.57 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.06 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 5.2 p -76.94 -39.33 51.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.46 -0.336 . . . . 10.0 111.024 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 57.14 38.1 28.83 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.779 -0.646 . . . . 10.0 111.404 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 4.0 t -158.63 109.16 2.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.063 -0.517 . . . . 10.0 109.759 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 10.0 m -53.25 -31.4 18.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 111.831 0.308 . . . . 10.0 111.831 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -63.65 -26.32 68.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.428 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 21.6 mt -104.85 -34.67 3.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.061 0.458 . . . . 10.0 110.455 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 489' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' D' ' 492' ' ' ASN . 15.9 m -65.77 -50.44 64.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.569 -0.741 . . . . 10.0 112.167 -178.296 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 2.1 m -61.73 -38.69 88.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.049 0.452 . . . . 10.0 110.577 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 491' ' ' ASP . . . . . 0.525 ' OD2' ' HG3' ' B' ' 72' ' ' ARG . 35.0 t70 -72.39 -29.09 63.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.194 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 492' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' D' ' 489' ' ' THR . 4.5 m-20 -56.84 -27.91 60.87 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.846 178.54 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 10.9 mt -81.99 -25.51 9.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.239 0.542 . . . . 10.0 110.331 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 19.7 mt -89.56 -1.58 58.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.108 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 495' ' ' GLU . . . . . 0.438 ' HG2' HH12 ' B' ' 42' ' ' ARG . 15.8 mm-40 -121.36 -156.29 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.248 -0.887 . . . . 10.0 109.265 179.207 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 496' ' ' GLY . . . . . 0.424 ' H ' ' HB3' ' D' ' 495' ' ' GLU . . . -104.83 94.23 1.0 Allowed Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.253 -0.975 . . . . 10.0 111.864 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 2.1 tpp85 -148.2 -66.06 0.25 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.728 0.299 . . . . 10.0 110.844 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 2.6 mt -97.77 139.71 19.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.697 -0.483 . . . . 10.0 109.697 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 . . . . . 0 C--N 1.326 -0.446 0 CA-C-O 120.797 0.332 . . . . 10.0 110.887 -179.925 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.478 ' HB2' ' HB3' ' A' ' 63' ' ' LYS . 23.6 ptt? . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.698 0.285 . . . . 10.0 110.413 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -107.22 134.05 50.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.512 -0.313 . . . . 10.0 110.671 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.0 pt -119.28 156.89 21.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.067 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -116.3 117.93 31.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.932 0.396 . . . . 10.0 110.856 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.8 t -100.77 119.12 48.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.235 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 41.8 mmtt -97.68 117.58 32.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.992 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.81 161.37 19.96 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 98.1 mt -61.51 -19.75 62.43 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.921 0.391 . . . . 10.0 111.556 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.27 -10.92 58.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.108 0.48 . . . . 10.0 110.912 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.14 -10.72 55.14 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.994 -0.622 . . . . 10.0 112.075 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.86 134.03 56.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.909 0.385 . . . . 10.0 111.274 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m -111.56 111.2 22.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.729 -0.668 . . . . 10.0 110.003 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.9 mt -101.75 131.03 50.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.914 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 m -97.19 123.32 40.93 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.658 -0.497 . . . . 10.0 109.658 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.7 mt -122.58 142.88 50.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.018 0.437 . . . . 10.0 111.606 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -93.48 113.01 25.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.547 -0.751 . . . . 10.0 109.348 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.45 ' O ' ' HG2' ' A' ' 1' ' ' MET . 19.7 m -140.54 159.48 24.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.913 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -112.74 153.75 44.99 Favored Pre-proline 0 C--N 1.315 -0.931 0 N-CA-C 108.588 -0.893 . . . . 10.0 108.588 178.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.92 -28.81 50.81 Favored 'Trans proline' 0 CA--C 1.53 0.287 0 C-N-CA 122.139 1.892 . . . . 10.0 113.101 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 p -81.13 -0.13 38.78 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -78.44 145.53 35.0 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 120.86 0.362 . . . . 10.0 110.502 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.423 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -90.83 148.0 22.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.839 -179.807 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.7 mm -57.31 -36.16 51.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.971 0.415 . . . . 10.0 110.577 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -59.89 -39.27 84.77 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.386 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -73.21 -35.93 66.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.046 -0.525 . . . . 10.0 109.846 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 22' ' ' THR . 85.2 t -61.33 -44.59 98.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.956 -0.565 . . . . 10.0 109.717 178.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -65.62 -31.18 72.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.384 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.92 -36.54 82.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.211 0.529 . . . . 10.0 109.86 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.34 -33.97 76.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.013 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.5 mt -69.54 -33.77 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.784 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -68.24 -30.56 69.64 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.355 0.598 . . . . 10.0 109.814 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -75.6 -35.21 60.59 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.725 -0.67 . . . . 10.0 110.284 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -76.49 -61.26 2.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.694 -0.685 . . . . 10.0 111.77 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -85.37 -68.41 0.73 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.812 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 139.31 -18.18 3.09 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.753 -0.737 . . . . 10.0 111.642 -179.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.4 mt -61.87 125.91 86.03 Favored Pre-proline 0 C--N 1.326 -0.423 0 C-N-CA 122.167 0.187 . . . . 10.0 110.547 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.18 144.71 99.28 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.573 2.182 . . . . 10.0 112.039 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.09 -18.49 51.36 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.884 2.389 . . . . 10.0 112.916 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.17 -29.1 67.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.561 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -101.88 1.1 36.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.607 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -91.58 108.05 19.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.069 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -112.2 96.94 6.31 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.886 0.374 . . . . 10.0 110.07 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.4 mt -83.53 123.72 30.03 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.789 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 93.4 mt -119.8 127.44 75.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.216 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -118.16 108.99 15.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.442 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.61 30.54 20.17 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.725 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.71 -13.46 65.25 Favored Glycine 0 N--CA 1.455 -0.098 0 C-N-CA 120.917 -0.659 . . . . 10.0 112.658 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -94.16 119.0 32.37 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.608 -0.145 . . . . 10.0 110.608 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -75.73 124.52 27.41 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.26 -0.644 . . . . 10.0 109.26 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.4 mt -76.76 129.5 36.38 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.319 -0.401 . . . . 10.0 111.515 -178.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.476 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 24.2 mt-10 -84.78 154.12 22.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.989 -0.551 . . . . 10.0 109.718 178.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.99 -48.28 81.04 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.782 0.66 . . . . 10.0 112.782 -178.379 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.01 46.6 3.69 Favored Glycine 0 CA--C 1.516 0.127 0 C-N-CA 120.677 -0.773 . . . . 10.0 114.149 -178.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.476 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 20.2 mmt180 -135.6 163.12 30.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 117.031 0.415 . . . . 10.0 110.068 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.9 p -105.34 166.77 10.19 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.01 -0.367 . . . . 10.0 110.01 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.0 mt -66.21 -31.89 72.99 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.274 0.559 . . . . 10.0 110.147 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.83 -23.51 64.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.627 -0.715 . . . . 10.0 111.572 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -64.35 -30.98 72.01 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.827 0.346 . . . . 10.0 111.221 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -107.29 10.72 29.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.037 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.7 t30 63.38 30.6 15.46 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.682 -0.69 . . . . 10.0 111.691 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.8 mt -76.23 123.47 32.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.775 -0.454 . . . . 10.0 109.775 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -122.57 -167.97 1.66 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.787 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.478 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 5.6 pttt -65.63 151.77 45.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.473 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 64.49 28.79 13.45 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.579 0.55 . . . . 10.0 111.792 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.5 m -103.35 132.49 49.57 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.897 0.379 . . . . 10.0 110.445 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -98.36 134.19 41.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.862 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 mp -120.96 148.08 44.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.181 -0.463 . . . . 10.0 109.829 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -98.24 129.37 44.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.819 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.9 tp -104.23 99.69 9.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.068 -0.514 . . . . 10.0 110.027 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 42.1 t -93.75 136.69 24.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.309 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.3 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.576 179.93 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.46 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 26.9 ptt? . . . . . 0 N--CA 1.482 1.165 0 N-CA-C 109.83 -0.433 . . . . 10.0 109.83 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -90.81 133.13 35.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.995 0.426 . . . . 10.0 111.502 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 13.9 pt -125.03 162.1 27.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.648 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.413 ' O ' ' HA ' ' B' ' 66' ' ' THR . 86.3 m-85 -119.71 126.79 51.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.557 -0.292 . . . . 10.0 110.519 -179.727 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.414 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 42.5 t -110.08 125.95 67.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.654 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -93.73 147.71 22.79 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.848 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 35.9 p -127.97 162.09 27.6 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.826 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 61.3 mt -64.91 -21.59 66.85 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.121 0.486 . . . . 10.0 111.046 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.48 -4.57 58.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.939 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.89 11.77 83.47 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 121.087 -0.578 . . . . 10.0 112.037 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -91.64 102.86 15.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.811 0.339 . . . . 10.0 110.634 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.1 m -74.0 122.76 23.12 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.282 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.414 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 42.3 mt -100.98 137.19 29.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.278 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.44 136.01 44.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.497 -0.319 . . . . 10.0 110.291 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 42.1 mt -142.34 143.37 32.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.099 0.476 . . . . 10.0 111.254 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -104.53 103.0 12.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.391 -0.822 . . . . 10.0 108.911 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.46 ' O ' ' HG2' ' B' ' 1' ' ' MET . 26.9 m -133.68 174.78 12.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.514 -0.312 . . . . 10.0 110.363 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.49 ' O ' HD12 ' B' ' 56' ' ' LEU . 5.6 mm-40 -126.6 157.17 71.83 Favored Pre-proline 0 C--N 1.318 -0.764 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 179.306 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.06 -17.5 31.71 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.643 2.229 . . . . 10.0 112.993 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.96 -7.81 59.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.837 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -76.59 153.77 35.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.709 0.29 . . . . 10.0 110.592 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.44 ' O ' HG23 ' B' ' 26' ' ' VAL . 29.8 p -96.44 151.65 19.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.299 -0.41 . . . . 10.0 111.032 -178.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 38.1 mm -57.94 -41.12 79.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.041 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -62.16 -42.57 99.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.521 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.419 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 64.5 t30 -66.41 -36.08 81.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.948 0.404 . . . . 10.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 22' ' ' THR . 71.4 t -63.29 -43.77 98.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 10.0 109.722 178.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.429 ' HD2' ' HB2' ' B' ' 41' ' ' GLN . 50.6 mtmt -64.72 -30.72 71.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.445 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.49 -38.67 90.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.122 0.487 . . . . 10.0 110.044 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 18.4 mttm -64.69 -38.94 92.7 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.791 179.044 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 67.2 mt -68.29 -33.33 59.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.495 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.485 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 49.5 tt0 -65.86 -29.98 70.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.261 179.254 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -80.17 -43.28 21.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.526 -0.306 . . . . 10.0 110.606 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.2 mttt -71.43 -61.74 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.938 0.399 . . . . 10.0 111.903 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -79.16 -39.83 32.47 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.922 0.342 . . . . 10.0 111.922 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.485 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 96.26 16.88 36.19 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.51 -0.852 . . . . 10.0 112.283 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.9 mt -95.02 127.55 42.41 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 110.416 -0.216 . . . . 10.0 110.416 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 51.9 Cg_exo -55.33 132.91 55.07 Favored 'Trans proline' 0 CA--C 1.533 0.436 0 C-N-CA 122.6 2.2 . . . . 10.0 111.963 179.392 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 36.5 Cg_exo -60.06 -18.11 49.0 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.153 2.569 . . . . 10.0 112.895 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.53 -35.82 79.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.974 -0.557 . . . . 10.0 109.971 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -95.43 6.43 49.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.854 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.429 ' HB2' ' HD2' ' B' ' 27' ' ' LYS . 65.4 mt-30 -96.06 114.74 26.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.381 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.456 ' HD2' ' HD2' ' B' ' 72' ' ' ARG . 21.8 mtp180 -110.35 113.24 25.75 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.7 -0.852 . . . . 10.0 108.7 177.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 43' ' ' LEU . 16.0 mt -94.45 123.73 38.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.849 0.357 . . . . 10.0 110.851 -178.623 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -120.33 139.06 48.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.796 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.456 ' HB3' HD21 ' B' ' 50' ' ' LEU . 70.6 t80 -133.41 121.51 22.37 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.606 -0.725 . . . . 10.0 109.417 179.098 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.29 15.8 8.95 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.066 -0.515 . . . . 10.0 112.2 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.53 -0.86 46.05 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.751 -0.738 . . . . 10.0 113.362 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -118.81 152.75 35.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.93 0.365 . . . . 10.0 110.263 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.96 147.96 24.79 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.207 0.527 . . . . 10.0 112.013 -178.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.456 HD21 ' HB3' ' B' ' 45' ' ' PHE . 7.0 mt -103.05 128.73 49.8 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.018 -0.992 . . . . 10.0 108.754 178.303 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.5 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 48.9 mt-10 -78.19 153.94 31.55 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.723 0.297 . . . . 10.0 110.502 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.8 -47.81 84.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.736 -0.666 . . . . 10.0 111.58 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.53 48.12 3.9 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 121.047 -0.597 . . . . 10.0 113.133 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.5 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 37.6 mmt180 -136.66 161.26 36.41 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.89 -0.411 . . . . 10.0 109.89 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -105.0 159.17 16.03 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.955 -0.566 . . . . 10.0 109.721 179.165 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.49 HD12 ' O ' ' B' ' 18' ' ' GLU . 89.3 mt -63.61 -31.29 72.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.148 0.499 . . . . 10.0 110.63 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.7 p -70.07 -23.83 63.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.134 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.33 -19.66 64.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.577 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -112.58 12.64 19.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.455 -0.339 . . . . 10.0 110.379 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 57.49 34.82 25.13 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.65 -0.704 . . . . 10.0 112.099 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 66.7 mt -78.51 119.71 28.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.365 -0.379 . . . . 10.0 110.6 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -109.27 -172.71 2.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.333 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -71.94 162.71 29.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.284 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 60.08 27.1 16.5 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 123.415 0.447 . . . . 10.0 111.273 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 72.2 m -101.1 149.68 23.71 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.277 -0.419 . . . . 10.0 110.954 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 1.2 m -105.24 125.16 50.67 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.499 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -108.64 141.49 40.52 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.372 -0.973 . . . . 10.0 108.372 178.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.584 ' CE1' ' HA ' ' D' ' 467' ' ' MET . 97.4 m-70 -102.5 121.12 41.73 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 120.831 0.348 . . . . 10.0 111.275 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.5 tp -97.46 98.88 10.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.928 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.405 HG13 ' HB ' ' D' ' 490' ' ' THR . 69.8 t -93.31 130.23 42.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.394 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 79.8 mt -84.28 148.33 26.74 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.456 ' HD2' ' HD2' ' B' ' 42' ' ' ARG . 21.1 ttt180 . . . . . 0 C--N 1.322 -0.628 0 CA-C-O 120.87 0.367 . . . . 10.0 111.001 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.747 0.308 . . . . 10.0 110.961 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -69.98 -27.83 65.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.569 -0.287 . . . . 10.0 111.05 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.62 -42.58 99.67 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -71.3 -36.97 71.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.382 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -67.57 -33.78 75.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.879 -0.601 . . . . 10.0 110.777 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 61.9 mtm -79.38 -29.81 42.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.53 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -65.4 -37.51 87.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.99 0.424 . . . . 10.0 110.46 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -64.45 -27.57 69.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.375 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -64.52 -40.9 96.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.004 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 56.6 mt -72.92 -32.18 38.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.278 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -65.5 -27.06 68.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.222 0.534 . . . . 10.0 110.131 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -77.06 -12.6 59.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.241 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 467' ' ' MET . . . . . 0.584 ' HA ' ' CE1' ' B' ' 68' ' ' HIS . 29.1 mmm -102.55 -47.64 4.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.431 -0.804 . . . . 10.0 109.985 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 468' ' ' PHE . . . . . 0.558 ' O ' HG12 ' D' ' 471' ' ' VAL . 66.7 m-85 -121.57 94.41 48.5 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.181 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -81.17 -2.65 11.8 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.286 1.991 . . . . 10.0 112.974 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 11.7 pm0 -99.16 -3.49 34.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.782 0.325 . . . . 10.0 111.416 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 471' ' ' VAL . . . . . 0.558 HG12 ' O ' ' D' ' 468' ' ' PHE . 9.9 p -94.07 135.34 24.74 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.589 -0.278 . . . . 10.0 110.405 -179.705 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 472' ' ' PRO . . . . . 0.437 ' HB3' ' CE1' ' D' ' 474' ' ' HIS . 32.6 Cg_exo -60.55 123.54 13.25 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.484 2.123 . . . . 10.0 112.136 178.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -57.19 -37.38 72.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.898 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 474' ' ' HIS . . . . . 0.437 ' CE1' ' HB3' ' D' ' 472' ' ' PRO . 53.7 p-80 -67.69 -24.42 65.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.592 0.234 . . . . 10.0 111.18 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 475' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' D' ' 475' ' ' LEU . 19.9 mt -80.27 -30.5 38.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.041 0.448 . . . . 10.0 109.913 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 57.9 t -65.93 -42.27 91.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.813 -0.631 . . . . 10.0 109.444 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.7 -20.79 66.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.908 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -73.13 -52.58 13.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.595 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 479' ' ' ASP . . . . . 0.549 ' HB3' HG23 ' D' ' 489' ' ' THR . 11.9 t70 -69.14 -32.4 71.74 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.938 0.399 . . . . 10.0 110.775 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.16 -30.01 67.85 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.168 0.508 . . . . 10.0 110.67 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -94.59 8.24 42.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.218 0.532 . . . . 10.0 110.526 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.41 -58.11 2.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.098 179.577 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 47.0 p -88.41 -32.75 18.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.419 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? 66.03 25.6 10.91 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.787 -0.642 . . . . 10.0 111.271 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 43.2 m -152.07 114.61 4.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.368 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 15.3 m -57.26 -29.62 33.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.44 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -65.5 -24.42 67.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.464 . . . . 10.0 111.01 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 30.7 mt -99.31 -31.86 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.96 0.409 . . . . 10.0 110.027 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 489' ' ' THR . . . . . 0.549 HG23 ' HB3' ' D' ' 479' ' ' ASP . 89.1 m -64.34 -53.48 48.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.362 -0.835 . . . . 10.0 111.443 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 490' ' ' THR . . . . . 0.405 ' HB ' HG13 ' B' ' 70' ' ' VAL . 1.5 m -59.57 -38.89 82.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.787 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 491' ' ' ASP . . . . . 0.421 ' O ' ' HG2' ' D' ' 495' ' ' GLU . 31.1 t70 -67.93 -41.19 82.93 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 178.541 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -54.98 -37.76 66.95 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.273 -0.876 . . . . 10.0 110.671 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 493' ' ' ILE . . . . . 0.449 HG13 ' O ' ' D' ' 489' ' ' THR . 59.7 mt -66.19 -43.21 92.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.188 179.377 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 76.1 mt -68.08 -35.93 78.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 495' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' D' ' 491' ' ' ASP . 7.1 mm-40 -69.81 -36.52 75.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.257 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 116.7 27.57 2.75 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.278 -0.963 . . . . 10.0 113.005 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -82.42 -41.6 19.66 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 3.8 mp -93.19 132.36 37.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.575 -0.739 . . . . 10.0 109.023 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 . . . . . 0 C--N 1.327 -0.374 0 CA-C-O 121.013 0.435 . . . . 10.0 111.144 -179.505 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.483 1.207 0 CA-C-O 120.678 0.275 . . . . 10.0 110.378 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -105.66 146.88 29.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.644 0.259 . . . . 10.0 110.683 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.7 pt -129.98 160.56 40.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.699 -0.482 . . . . 10.0 109.699 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -116.28 111.14 19.7 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.069 0.461 . . . . 10.0 111.136 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.2 t -97.44 120.41 46.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.988 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -94.26 123.76 37.86 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.141 0.496 . . . . 10.0 110.935 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.98 163.21 14.08 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.045 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.4 mt -58.13 -30.38 66.28 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.854 0.359 . . . . 10.0 111.656 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.07 4.85 13.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 10.0 112.196 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.72 5.53 89.34 Favored Glycine 0 C--N 1.329 0.165 0 C-N-CA 120.834 -0.698 . . . . 10.0 112.183 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -77.38 143.83 38.4 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.003 -0.369 . . . . 10.0 110.003 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.7 m -114.0 116.91 29.95 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.254 -0.43 . . . . 10.0 109.925 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.0 mt -105.33 128.85 58.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.68 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.44 138.2 38.76 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mt -146.51 139.92 25.8 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.844 0.354 . . . . 10.0 111.268 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -82.46 123.75 29.44 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.602 -0.726 . . . . 10.0 109.89 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.2 m -139.3 159.64 28.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.683 -0.69 . . . . 10.0 110.472 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -117.28 157.14 47.85 Favored Pre-proline 0 C--N 1.32 -0.715 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -55.45 -30.26 72.68 Favored 'Trans proline' 0 CA--C 1.531 0.372 0 C-N-CA 122.5 2.133 . . . . 10.0 112.866 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.55 1.77 54.27 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.17 0.433 . . . . 10.0 112.17 -179.266 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -74.59 143.73 44.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.769 0.319 . . . . 10.0 110.502 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.452 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -93.64 147.78 22.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.113 -179.444 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.42 HG12 ' O ' ' A' ' 54' ' ' ARG . 48.5 mm -57.34 -36.01 51.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-O 120.949 0.404 . . . . 10.0 110.81 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -57.9 -42.9 85.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.284 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -71.31 -36.49 71.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.304 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 22' ' ' THR . 97.0 t -60.83 -43.81 96.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.507 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -63.58 -33.63 76.04 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.97 0.414 . . . . 10.0 110.136 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.73 -33.4 72.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.699 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -67.09 -37.57 84.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.042 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.0 mt -71.64 -36.25 58.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 108.911 -0.774 . . . . 10.0 108.911 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -63.09 -38.01 89.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.35 -0.841 . . . . 10.0 109.762 178.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -65.96 -25.7 67.23 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.375 -0.829 . . . . 10.0 111.109 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -94.06 -57.09 2.63 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.202 0.445 . . . . 10.0 112.202 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -82.66 -43.62 16.71 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.396 0.517 . . . . 10.0 112.396 -178.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.2 18.08 16.05 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 120.799 -0.715 . . . . 10.0 112.45 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.8 mt -94.4 126.13 49.33 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 122.86 -0.2 . . . . 10.0 110.525 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.54 135.13 67.82 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.715 2.277 . . . . 10.0 112.19 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.36 -25.81 49.8 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.304 2.669 . . . . 10.0 113.471 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -65.63 -36.76 84.63 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.067 0.46 . . . . 10.0 111.527 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -90.69 5.43 48.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.058 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -102.39 113.31 26.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.645 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.3 mtt180 -115.17 108.79 17.09 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.418 -0.586 . . . . 10.0 109.418 177.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.7 mt -92.37 126.83 37.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.248 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.1 mp -118.32 131.08 72.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.293 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.494 ' HB3' HD21 ' A' ' 50' ' ' LEU . 75.6 t80 -125.68 115.64 20.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.051 -0.522 . . . . 10.0 109.836 179.286 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.26 28.25 17.83 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.524 0.515 . . . . 10.0 111.562 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.21 -1.54 82.67 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.947 -0.644 . . . . 10.0 112.71 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt -108.04 138.54 44.12 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.1 -0.333 . . . . 10.0 110.1 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -80.14 137.8 36.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.757 0.313 . . . . 10.0 110.404 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.494 HD21 ' HB3' ' A' ' 45' ' ' PHE . 55.1 mt -87.91 119.64 28.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.434 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -79.07 138.18 37.85 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.22 -0.446 . . . . 10.0 110.636 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.6 -42.38 71.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.618 -0.719 . . . . 10.0 112.473 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.36 25.77 3.67 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.996 -0.621 . . . . 10.0 113.827 -178.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.42 ' O ' HG12 ' A' ' 23' ' ' ILE . 72.4 mmt-85 -127.45 163.14 24.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 117.079 0.44 . . . . 10.0 110.241 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.7 p -106.04 177.85 4.73 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.422 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.0 mt -69.34 -32.72 71.98 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.231 0.538 . . . . 10.0 110.153 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.2 m -71.6 -13.61 61.82 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.705 -0.68 . . . . 10.0 111.126 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -77.5 -14.09 59.76 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.454 -0.339 . . . . 10.0 110.956 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -125.33 13.56 8.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.154 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.3 t30 60.17 33.77 21.09 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.934 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.6 mt -75.89 111.45 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.805 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -95.13 -167.7 1.67 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.793 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.7 pttt -73.67 144.27 45.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.684 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 61.21 32.31 19.45 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.935 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.6 m -75.34 156.92 35.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.669 0.271 . . . . 10.0 110.47 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.2 m -95.87 111.96 23.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.385 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -109.36 126.19 53.14 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.736 -0.468 . . . . 10.0 109.736 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -98.88 127.2 44.74 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 110.07 -0.344 . . . . 10.0 110.07 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.6 tp -107.02 123.41 48.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.036 0.446 . . . . 10.0 111.353 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.0 t -120.14 134.72 62.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.698 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 67.0 mt . . . . . 0 C--N 1.326 -0.447 0 N-CA-C 110.336 -0.246 . . . . 10.0 110.336 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.511 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 23.2 ptt? . . . . . 0 N--CA 1.483 1.197 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -106.17 142.62 35.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.943 0.402 . . . . 10.0 111.691 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.6 pt -128.08 160.55 37.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.201 -0.666 . . . . 10.0 109.201 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.437 ' O ' ' HA ' ' B' ' 66' ' ' THR . 51.0 m-85 -120.41 113.46 20.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.114 0.483 . . . . 10.0 111.099 -178.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -101.03 131.57 48.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.894 -0.594 . . . . 10.0 109.891 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -113.09 129.1 56.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.908 0.385 . . . . 10.0 110.777 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.435 HG22 HD23 ' B' ' 69' ' ' LEU . 73.3 p -93.22 171.76 8.72 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.416 HD23 ' HG3' ' D' ' 467' ' ' MET . 43.7 mt -70.79 -8.85 55.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.198 0.523 . . . . 10.0 110.852 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.77 -1.96 54.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.662 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.61 16.73 67.68 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.8 -0.714 . . . . 10.0 112.419 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 43.7 tttp -91.69 131.24 37.22 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.305 -0.257 . . . . 10.0 110.305 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.3 m -104.29 113.22 26.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.84 0.352 . . . . 10.0 110.312 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.6 mt -103.63 123.23 57.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.279 -0.418 . . . . 10.0 110.629 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.3 m -88.17 123.7 33.08 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.211 -0.449 . . . . 10.0 109.924 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 80.9 mt -124.34 145.21 49.57 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.84 0.352 . . . . 10.0 111.263 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -97.04 121.3 38.78 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.43 -0.581 . . . . 10.0 109.43 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.511 ' O ' ' HG2' ' B' ' 1' ' ' MET . 15.4 m -141.59 -175.9 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.723 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.496 ' O ' HD12 ' B' ' 56' ' ' LEU . 53.4 mm-40 -142.95 155.8 62.34 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 108.324 -0.991 . . . . 10.0 108.324 178.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -53.23 -31.21 54.77 Favored 'Trans proline' 0 CA--C 1.532 0.424 0 C-N-CA 122.618 2.212 . . . . 10.0 113.371 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.64 6.7 29.76 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.388 0.514 . . . . 10.0 112.388 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -73.75 158.52 34.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.112 0.482 . . . . 10.0 110.304 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.9 m -105.19 142.78 34.37 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.552 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 50.5 mm -53.38 -42.51 48.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-O 120.814 0.34 . . . . 10.0 111.19 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -58.27 -42.97 87.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.827 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -64.61 -38.36 90.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.25 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 67.0 t -61.54 -43.24 96.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 10.0 109.699 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -64.61 -35.31 80.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.242 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.58 -35.69 81.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.925 -0.58 . . . . 10.0 109.831 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -66.31 -38.62 88.12 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.875 179.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 82.5 mt -67.22 -35.37 73.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.165 -0.68 . . . . 10.0 109.165 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -70.14 -28.07 65.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.245 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -74.9 -45.93 39.37 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.943 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -76.87 -46.83 23.13 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.231 0.456 . . . . 10.0 112.231 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -93.05 -58.45 2.32 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 -178.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.08 0.28 10.63 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.701 -0.761 . . . . 10.0 112.303 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 15.7 mt -72.84 124.8 91.15 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 110.495 -0.187 . . . . 10.0 110.495 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -59.19 135.16 64.03 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.438 2.092 . . . . 10.0 111.909 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -55.57 -17.79 18.26 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.324 2.682 . . . . 10.0 113.395 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.63 -28.32 62.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.936 0.398 . . . . 10.0 111.163 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -103.21 13.64 33.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.951 0.405 . . . . 10.0 110.58 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -102.51 108.57 19.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.124 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -111.49 110.22 20.54 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.198 -0.667 . . . . 10.0 109.198 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 32.7 mt -94.02 134.35 36.52 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.138 0.494 . . . . 10.0 111.431 -178.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.434 HG12 ' CE2' ' D' ' 468' ' ' PHE . 1.6 mp -123.65 132.72 70.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.485 -0.779 . . . . 10.0 109.69 179.532 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.607 ' HB3' HD21 ' B' ' 50' ' ' LEU . 76.0 t80 -137.03 124.54 22.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.999 -0.546 . . . . 10.0 109.912 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.61 37.7 19.17 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.463 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.21 29.15 68.94 Favored Glycine 0 CA--C 1.517 0.172 0 C-N-CA 120.846 -0.693 . . . . 10.0 112.972 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -143.98 147.55 34.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.568 0.223 . . . . 10.0 110.481 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.77 142.17 31.79 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.384 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.607 HD21 ' HB3' ' B' ' 45' ' ' PHE . 31.9 mt -93.8 149.04 21.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.147 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.428 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 38.0 mt-10 -98.75 151.64 20.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.249 -0.432 . . . . 10.0 109.973 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.48 -52.09 66.69 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.397 0.518 . . . . 10.0 112.397 -178.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.3 58.92 4.95 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.802 -0.713 . . . . 10.0 113.342 -178.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.428 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 25.3 mmt180 -141.33 160.7 39.57 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.277 -0.268 . . . . 10.0 110.277 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.518 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 69.7 p -103.81 171.12 7.53 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.528 -0.545 . . . . 10.0 109.528 178.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.496 HD12 ' O ' ' B' ' 18' ' ' GLU . 27.2 mt -68.35 -33.67 74.71 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.204 -0.665 . . . . 10.0 109.204 178.542 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.97 -22.94 65.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.511 -0.768 . . . . 10.0 111.441 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.518 ' HB2' ' O ' ' B' ' 55' ' ' THR . 0.7 OUTLIER -57.08 -46.22 82.7 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.068 0.461 . . . . 10.0 111.058 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -103.13 12.21 36.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.293 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 59.54 38.07 22.51 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.34 -0.846 . . . . 10.0 111.974 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 62.1 mt -74.8 107.4 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.981 -0.554 . . . . 10.0 109.637 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -95.98 -165.48 1.29 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.802 -0.636 . . . . 10.0 110.93 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -79.45 153.86 29.34 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.453 -0.339 . . . . 10.0 110.437 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 69.44 6.32 5.63 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.694 0.621 . . . . 10.0 111.98 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 13.0 m -74.32 147.67 42.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.905 0.383 . . . . 10.0 111.093 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.437 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 2.0 m -99.15 129.74 45.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.304 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -115.84 130.99 57.06 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.237 -0.438 . . . . 10.0 109.939 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -88.15 120.39 29.46 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.44 -0.346 . . . . 10.0 110.074 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.435 HD23 HG22 ' B' ' 7' ' ' THR . 51.6 tp -104.72 107.45 18.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.169 0.509 . . . . 10.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 68.6 t -96.61 122.9 48.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.592 -0.731 . . . . 10.0 109.709 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 55.3 mt -83.62 119.87 25.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.674 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.509 ' HA ' ' CG ' ' D' ' 491' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.709 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.233 0.195 0 CA-C-O 121.043 0.449 . . . . 10.0 111.105 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -68.52 -41.16 80.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.315 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 59.3 mt -66.23 -38.17 87.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.566 -0.743 . . . . 10.0 110.886 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -63.54 -41.41 98.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.463 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.7 92.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.379 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 41.5 mtt -67.66 -46.01 73.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.949 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.39 -38.56 84.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.682 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -59.92 -35.46 74.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.256 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -68.77 -39.04 80.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.026 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 61.4 mt -67.5 -34.63 69.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.668 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 -63.84 -23.6 67.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.581 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -80.64 -19.39 45.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.447 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 467' ' ' MET . . . . . 0.416 ' HG3' HD23 ' B' ' 8' ' ' LEU . 62.6 mmm -85.27 -49.45 8.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.02 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 468' ' ' PHE . . . . . 0.47 ' O ' HG12 ' D' ' 471' ' ' VAL . 0.5 OUTLIER -124.11 91.34 49.72 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.979 179.299 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -78.54 41.64 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.805 2.337 . . . . 10.0 112.942 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -147.37 18.3 1.19 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.072 0.463 . . . . 10.0 110.709 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 471' ' ' VAL . . . . . 0.47 HG12 ' O ' ' D' ' 468' ' ' PHE . 10.6 p -115.51 133.12 22.81 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.846 -0.616 . . . . 10.0 109.941 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 472' ' ' PRO . . . . . 0.445 ' HB3' ' CE1' ' D' ' 474' ' ' HIS . 52.5 Cg_exo -56.05 116.26 3.05 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.549 2.166 . . . . 10.0 112.224 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -54.89 -38.31 67.39 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.964 -179.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 474' ' ' HIS . . . . . 0.445 ' CE1' ' HB3' ' D' ' 472' ' ' PRO . 12.2 p-80 -64.0 -25.81 68.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.578 -0.283 . . . . 10.0 111.485 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 39.7 mt -85.55 -29.34 24.25 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.067 -0.346 . . . . 10.0 110.067 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 58.5 t -65.76 -40.92 89.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 108.808 -0.812 . . . . 10.0 108.808 178.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 49.1 mt -66.14 -26.78 67.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.519 -0.764 . . . . 10.0 110.637 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -63.34 -49.36 74.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.064 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 479' ' ' ASP . . . . . 0.584 ' HB2' HD11 ' D' ' 498' ' ' ILE . 10.9 t0 -74.95 -28.46 60.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.972 0.415 . . . . 10.0 110.295 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.17 -25.48 67.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.999 0.428 . . . . 10.0 110.258 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -92.83 -2.67 55.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.184 0.516 . . . . 10.0 110.078 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -103.89 -68.18 0.86 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.547 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.94 -41.01 37.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.081 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 63.06 37.58 11.5 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.89 -0.595 . . . . 10.0 111.508 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 50.6 m -155.94 109.21 2.71 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.037 -0.357 . . . . 10.0 110.037 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 5.2 m -45.65 -36.9 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 113.396 0.888 . . . . 10.0 113.396 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -64.12 -65.22 0.71 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.033 0.444 . . . . 10.0 111.08 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 488' ' ' ILE . . . . . 0.449 ' H ' HG13 ' D' ' 488' ' ' ILE . 16.3 mt -58.29 -35.9 55.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.452 -0.795 . . . . 10.0 112.026 -179.03 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 33.0 m -65.64 -63.23 1.14 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.039 -0.528 . . . . 10.0 112.251 -178.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 3.3 m -57.0 -39.05 73.95 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.186 0.439 . . . . 10.0 112.186 -177.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 491' ' ' ASP . . . . . 0.509 ' CG ' ' HA ' ' B' ' 72' ' ' ARG . 5.3 t0 -62.72 -57.68 10.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.906 0.384 . . . . 10.0 111.844 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 492' ' ' ASN . . . . . 0.411 ' HB3' ' HD3' ' D' ' 497' ' ' ARG . 37.8 m-80 -64.52 -22.43 66.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.387 -178.64 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 493' ' ' ILE . . . . . 0.425 HG12 HD13 ' D' ' 498' ' ' ILE . 11.6 mt -64.18 -37.0 78.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 178.14 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.96 -23.0 66.11 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.949 -0.568 . . . . 10.0 111.013 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -85.42 -3.12 58.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.535 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 95.31 31.56 7.5 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.504 -0.855 . . . . 10.0 112.502 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 497' ' ' ARG . . . . . 0.411 ' HD3' ' HB3' ' D' ' 492' ' ' ASN . 2.3 ttt180 -73.95 -34.03 64.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.463 0.649 . . . . 10.0 109.316 178.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 498' ' ' ILE . . . . . 0.584 HD11 ' HB2' ' D' ' 479' ' ' ASP . 1.4 mp -104.92 134.43 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 108.537 -0.912 . . . . 10.0 108.537 178.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 . . . . . 0 C--N 1.328 -0.367 0 CA-C-O 120.92 0.391 . . . . 10.0 110.923 -179.607 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 109.916 -0.401 . . . . 10.0 109.916 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -107.84 131.55 54.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.914 0.388 . . . . 10.0 111.375 -179.018 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.4 pt -121.92 151.53 25.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.974 -0.557 . . . . 10.0 109.543 178.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -113.25 119.57 38.17 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.717 0.294 . . . . 10.0 110.879 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 63.9 t -105.49 121.21 57.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.268 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -97.17 138.92 33.93 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.044 0.449 . . . . 10.0 110.793 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.417 ' OG1' ' HB3' ' A' ' 11' ' ' LYS . 9.2 p -105.77 168.84 8.84 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.012 179.331 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.3 mt -59.44 -29.31 67.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 10.0 111.456 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.8 -5.62 57.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.773 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.46 -9.65 71.53 Favored Glycine 0 C--N 1.33 0.209 0 C-N-CA 120.741 -0.743 . . . . 10.0 112.948 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.417 ' HB3' ' OG1' ' A' ' 7' ' ' THR . 27.8 tttp -62.61 125.38 23.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.636 0.255 . . . . 10.0 110.411 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.1 m -102.23 113.76 27.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.816 0.341 . . . . 10.0 110.634 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.0 mt -103.23 124.33 57.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.773 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 m -94.58 125.85 39.49 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.61 -0.515 . . . . 10.0 109.61 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.5 mt -122.34 140.73 52.33 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.743 0.306 . . . . 10.0 111.147 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -93.9 111.79 23.54 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 108.991 -0.744 . . . . 10.0 108.991 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 22.9 m -134.8 176.06 9.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.427 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -132.75 160.25 69.21 Favored Pre-proline 0 C--N 1.319 -0.722 0 N-CA-C 109.07 -0.715 . . . . 10.0 109.07 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.9 -27.95 56.29 Favored 'Trans proline' 0 N--CA 1.474 0.354 0 C-N-CA 122.646 2.231 . . . . 10.0 113.572 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.19 5.35 41.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.477 -0.328 . . . . 10.0 111.785 -179.484 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -80.73 140.72 35.41 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.745 0.307 . . . . 10.0 110.225 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.47 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -87.6 148.0 25.04 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.571 -179.699 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.1 mm -57.96 -37.12 59.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.922 0.392 . . . . 10.0 110.062 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -59.64 -44.46 93.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.266 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -65.68 -36.29 83.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.883 -0.598 . . . . 10.0 110.161 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 22' ' ' THR . 90.2 t -62.5 -44.64 99.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.987 -0.551 . . . . 10.0 109.97 178.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -66.05 -33.24 75.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.221 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.42 -34.67 78.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.065 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -68.5 -39.91 81.09 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.474 -0.565 . . . . 10.0 109.474 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 55.5 mt -67.65 -34.2 66.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 121.625 0.726 . . . . 10.0 109.35 178.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.461 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 27.3 tt0 -64.55 -30.65 71.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.801 -1.09 . . . . 10.0 110.393 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -86.32 -33.81 20.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.345 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm -69.61 -59.26 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.493 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -94.6 -47.78 6.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.745 0.307 . . . . 10.0 111.425 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.461 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 118.99 -5.14 13.79 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.491 -0.862 . . . . 10.0 112.091 -179.225 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.1 mt -60.68 126.19 84.54 Favored Pre-proline 0 C--N 1.324 -0.51 0 C-N-CA 122.588 0.355 . . . . 10.0 111.234 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -60.86 129.4 28.86 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.476 2.117 . . . . 10.0 111.868 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -52.35 -24.18 20.56 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.367 2.711 . . . . 10.0 113.912 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.12 -35.31 80.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.808 0.337 . . . . 10.0 111.383 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -94.01 -3.67 50.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.835 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -82.02 103.94 12.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.382 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.402 HH22 ' HA ' ' D' ' 472' ' ' PRO . 39.4 ttt180 -107.79 100.03 9.44 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.721 -0.474 . . . . 10.0 109.721 178.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.401 ' HB3' HD12 ' A' ' 50' ' ' LEU . 34.4 mt -86.87 130.11 34.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.284 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.6 mt -130.75 135.85 59.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.761 -0.654 . . . . 10.0 109.766 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -129.28 109.92 11.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.96 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.49 24.43 14.06 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.916 -0.583 . . . . 10.0 111.786 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.19 -9.34 59.48 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.754 -0.736 . . . . 10.0 112.195 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -90.88 121.75 33.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.361 0.124 . . . . 10.0 110.765 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -76.74 122.1 24.25 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.783 -0.821 . . . . 10.0 108.783 178.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.401 HD12 ' HB3' ' A' ' 43' ' ' LEU . 12.4 mt -87.37 121.92 30.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.87 0.367 . . . . 10.0 111.642 -178.42 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.439 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 45.2 mt-10 -84.83 146.58 27.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.641 178.638 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -61.17 -36.01 78.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.066 -0.515 . . . . 10.0 111.93 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.62 28.5 3.49 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 121.103 -0.57 . . . . 10.0 113.707 -178.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.439 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 17.9 mmt180 -129.52 165.41 21.73 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.823 -0.436 . . . . 10.0 109.823 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 48.1 p -106.16 172.0 7.04 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.627 -0.509 . . . . 10.0 109.627 178.609 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.9 mt -67.15 -27.15 67.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.232 0.539 . . . . 10.0 110.388 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.8 m -75.83 -23.18 55.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.938 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.3 m-20 -61.61 -37.84 85.41 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.33 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -102.75 8.12 39.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.446 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 61.23 64.85 1.04 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 123.948 0.78 . . . . 10.0 111.015 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 54.0 mt -112.16 126.93 69.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.048 -0.523 . . . . 10.0 109.895 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -120.48 -170.79 2.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.042 0.448 . . . . 10.0 110.912 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -64.23 155.97 30.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.98 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 70.28 -5.95 1.24 Allowed 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.289 0.636 . . . . 10.0 112.394 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.7 m -72.55 137.43 46.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.882 0.372 . . . . 10.0 110.532 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.9 m -102.19 125.0 48.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.456 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 mp -105.81 158.51 16.69 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.694 -0.684 . . . . 10.0 109.361 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -120.15 137.88 53.91 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 121.04 -0.264 . . . . 10.0 110.384 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.5 tp -117.3 113.51 22.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.122 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.1 t -108.8 136.04 45.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.178 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.5 mt . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 116.615 -0.266 . . . . 10.0 110.429 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.412 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 25.2 ptt? . . . . . 0 N--CA 1.475 0.82 0 N-CA-C 109.953 -0.388 . . . . 10.0 109.953 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -93.71 139.86 30.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.954 0.407 . . . . 10.0 111.73 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.5 pt -127.74 148.17 32.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.477 -0.783 . . . . 10.0 109.571 178.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -105.42 109.78 21.89 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.9 0.381 . . . . 10.0 110.573 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -93.47 117.4 36.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.273 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -92.97 132.36 37.13 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.759 -0.459 . . . . 10.0 109.759 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 33.2 p -114.87 161.34 18.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.784 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 24.3 mt -69.57 -14.79 63.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.975 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.47 -4.41 58.92 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.847 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.96 26.63 48.54 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.996 -0.621 . . . . 10.0 112.617 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -112.3 124.57 52.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.633 0.254 . . . . 10.0 110.547 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -95.27 113.1 24.74 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 6.8 mt -97.21 125.25 50.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.147 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.24 114.48 26.58 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.782 -0.645 . . . . 10.0 109.652 179.171 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 93.9 mt -116.24 143.83 45.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.125 0.488 . . . . 10.0 112.113 -178.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -95.4 109.12 21.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.269 -0.878 . . . . 10.0 108.74 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.412 ' O ' ' HG2' ' B' ' 1' ' ' MET . 18.9 m -134.63 173.01 15.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.101 0.477 . . . . 10.0 111.027 -178.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.579 ' O ' HD12 ' B' ' 56' ' ' LEU . 56.8 mm-40 -131.1 152.57 80.88 Favored Pre-proline 0 C--N 1.317 -0.839 0 N-CA-C 108.607 -0.886 . . . . 10.0 108.607 178.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.29 -31.15 65.62 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.357 2.038 . . . . 10.0 112.259 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -84.01 5.95 23.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.778 -0.646 . . . . 10.0 112.257 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -84.24 137.93 33.22 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.886 -0.412 . . . . 10.0 109.886 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.6 m -80.63 144.37 32.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.768 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.44 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 45.6 mm -56.38 -40.38 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 CA-C-N 116.566 -0.288 . . . . 10.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -56.62 -38.17 71.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.038 0.446 . . . . 10.0 110.59 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.44 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 66.3 t30 -68.56 -36.55 78.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.075 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.42 ' O ' HG13 ' B' ' 30' ' ' ILE . 46.6 t -65.04 -39.16 84.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 178.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' B' ' 23' ' ' ILE . 7.4 mmmm -61.21 -39.05 88.79 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.78 -0.646 . . . . 10.0 109.932 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.52 ' O ' ' HG2' ' B' ' 31' ' ' GLN . . . -66.87 -37.85 85.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.531 -0.759 . . . . 10.0 110.489 179.274 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 96.3 mttt -63.2 -30.54 71.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.09 0.471 . . . . 10.0 110.036 179.334 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.42 HG13 ' O ' ' B' ' 26' ' ' VAL . 73.3 mt -72.45 -32.19 41.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.122 -0.49 . . . . 10.0 109.825 178.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' B' ' 28' ' ' ALA . 4.7 pt20 -77.81 -23.84 48.94 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 178.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -77.27 -44.61 29.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.367 -0.833 . . . . 10.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.1 mttm -87.13 -58.94 2.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.147 -0.479 . . . . 10.0 111.974 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -74.48 -56.38 4.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.668 0.271 . . . . 10.0 110.695 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.54 6.15 17.84 Favored Glycine 0 C--O 1.228 -0.247 0 C-N-CA 120.708 -0.758 . . . . 10.0 112.758 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.5 mt -86.32 126.31 65.09 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 110.192 -0.299 . . . . 10.0 110.192 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.43 127.98 26.09 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.962 2.441 . . . . 10.0 112.15 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.58 ' HA ' ' CD ' ' B' ' 41' ' ' GLN . 79.9 Cg_exo -49.31 -37.43 40.26 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.547 2.831 . . . . 10.0 113.832 -179.295 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -62.84 -24.08 67.61 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.927 -0.579 . . . . 10.0 112.225 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -96.0 -5.69 40.59 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.309 0.485 . . . . 10.0 112.309 -178.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.58 ' CD ' ' HA ' ' B' ' 38' ' ' PRO . 0.6 OUTLIER -95.38 139.72 31.28 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.596 -0.441 . . . . 10.0 110.696 -179.461 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.442 ' CZ ' HD22 ' D' ' 494' ' ' LEU . 0.6 OUTLIER -124.49 99.09 6.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.28 -0.418 . . . . 10.0 109.911 179.363 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 16.8 mt -79.9 127.19 31.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.333 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mp -120.3 139.67 46.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.541 -0.754 . . . . 10.0 109.967 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.505 ' HB3' HD21 ' B' ' 50' ' ' LEU . 42.9 t80 -137.48 123.47 20.23 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.356 -0.609 . . . . 10.0 109.356 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.4 17.56 10.39 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.645 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.43 -6.44 52.92 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.829 -0.7 . . . . 10.0 113.512 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -117.41 151.75 36.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 117.207 0.504 . . . . 10.0 111.403 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.33 146.52 32.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.141 -179.528 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.505 HD21 ' HB3' ' B' ' 45' ' ' PHE . 24.4 mt -95.27 150.77 19.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.326 179.563 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -97.03 137.82 35.51 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 178.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.409 ' OD1' ' HG3' ' B' ' 27' ' ' LYS . 32.4 m-20 -58.67 -37.65 76.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.504 -0.316 . . . . 10.0 111.362 -179.193 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.94 38.3 3.19 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.112 -0.566 . . . . 10.0 113.26 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.426 ' O ' HG12 ' B' ' 23' ' ' ILE . 75.4 mmt-85 -131.67 163.17 28.71 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 179.038 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.455 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 0.0 OUTLIER -104.14 160.3 14.97 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.723 -179.592 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.579 HD12 ' O ' ' B' ' 18' ' ' GLU . 91.4 mt -61.56 -35.1 76.85 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.706 0.288 . . . . 10.0 111.115 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 4.8 m -64.34 -26.83 68.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.463 -0.335 . . . . 10.0 111.497 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.455 ' HB2' ' O ' ' B' ' 55' ' ' THR . 6.2 m-20 -60.17 -36.99 78.83 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.067 0.46 . . . . 10.0 110.919 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -98.72 9.07 44.14 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.681 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 57.95 38.72 26.94 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.586 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 82.0 mt -75.75 110.51 10.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.936 0.398 . . . . 10.0 110.221 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -90.3 179.89 5.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.71 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -77.43 152.2 34.4 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.617 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 63.03 39.59 9.98 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.031 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 19.1 m -107.17 164.42 12.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.705 -0.679 . . . . 10.0 110.415 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.9 m -108.65 133.38 52.83 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.7 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.3 mp -116.11 145.87 42.69 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.194 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.512 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 36.4 m80 -98.56 114.36 26.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.428 -0.351 . . . . 10.0 111.17 -179.428 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.45 HD11 ' HB3' ' B' ' 41' ' ' GLN . 47.4 tp -98.05 90.31 4.84 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.294 -0.632 . . . . 10.0 109.294 178.358 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.432 ' CG1' ' HB ' ' D' ' 490' ' ' THR . 59.8 t -82.61 140.64 16.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.962 -0.563 . . . . 10.0 111.101 -178.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 34.6 mt -88.95 162.77 15.89 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.539 -0.755 . . . . 10.0 109.604 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.558 ' HE ' ' CG ' ' D' ' 491' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 C-N-CA 121.064 -0.254 . . . . 10.0 110.837 -179.048 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.53 0.208 0 N-CA-C 112.245 0.461 . . . . 10.0 112.245 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -66.48 -42.72 87.04 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.11 -0.236 . . . . 10.0 111.569 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 8.0 mt -62.34 -42.88 99.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.649 -0.25 . . . . 10.0 110.386 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -62.12 -46.32 89.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.469 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -59.66 -44.28 93.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 10.0 111.295 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 48.8 mtm -66.02 -40.44 91.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.734 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -67.59 -32.86 73.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.628 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -58.5 -45.85 87.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.584 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 463' ' ' GLN . . . . . 0.577 ' O ' ' HG2' ' D' ' 467' ' ' MET . 0.4 OUTLIER -63.75 -39.24 93.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.701 179.657 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 88.0 mt -67.04 -35.25 74.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.379 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 15.4 tp60 -63.78 -32.31 73.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.175 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -69.69 -37.33 76.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.094 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 467' ' ' MET . . . . . 0.577 ' HG2' ' O ' ' D' ' 463' ' ' GLN . 67.0 mmm -73.84 -44.18 56.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.499 -0.773 . . . . 10.0 111.187 -179.427 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 468' ' ' PHE . . . . . 0.578 ' O ' HG12 ' D' ' 471' ' ' VAL . 37.5 m-85 -116.86 91.56 35.83 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-O 121.008 0.432 . . . . 10.0 110.023 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -68.15 -19.96 44.26 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 123.004 2.469 . . . . 10.0 113.567 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 15.0 pm0 -90.09 -12.36 38.63 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.032 0.382 . . . . 10.0 112.032 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 471' ' ' VAL . . . . . 0.578 HG12 ' O ' ' D' ' 468' ' ' PHE . 2.1 p -83.12 139.9 42.51 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 120.578 0.228 . . . . 10.0 110.654 -179.191 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 472' ' ' PRO . . . . . 0.425 ' HD2' HG22 ' D' ' 471' ' ' VAL . 53.7 Cg_endo -83.18 131.66 5.89 Favored 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 122.111 1.874 . . . . 10.0 112.52 178.543 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -48.51 -42.54 33.35 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.151 -0.931 . . . . 10.0 113.354 -178.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 474' ' ' HIS . . . . . 0.413 ' CE1' ' HB2' ' D' ' 472' ' ' PRO . 36.1 p-80 -64.1 -36.02 82.66 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 112.12 0.415 . . . . 10.0 112.12 -177.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 475' ' ' LEU . . . . . 0.456 ' O ' ' HB3' ' D' ' 478' ' ' GLN . 21.0 mt -75.29 -28.67 59.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.796 0.332 . . . . 10.0 110.457 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 476' ' ' VAL . . . . . 0.407 HG23 ' O ' ' D' ' 472' ' ' PRO . 62.2 t -66.62 -45.4 88.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.445 -0.576 . . . . 10.0 109.445 178.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 55.4 mt -63.0 -27.09 69.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.534 -0.757 . . . . 10.0 110.528 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 478' ' ' GLN . . . . . 0.456 ' HB3' ' O ' ' D' ' 475' ' ' LEU . 1.8 tt0 -61.55 -50.03 74.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.019 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -69.73 -34.97 74.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.343 -0.39 . . . . 10.0 110.412 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.7 -25.05 64.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.413 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -79.28 -15.05 58.58 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.467 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 482' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' D' ' 482' ' ' LEU . 3.9 mm? -110.18 -43.81 3.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.758 0.313 . . . . 10.0 111.738 -178.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 69.5 p -89.71 -41.56 11.84 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.578 0.228 . . . . 10.0 111.312 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? 63.55 24.43 14.02 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.379 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 2.2 t -142.15 122.87 14.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.527 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 31.1 m -62.97 -27.81 43.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.963 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -67.9 -38.09 82.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.612 -0.722 . . . . 10.0 111.008 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 31.6 mt -85.01 -30.42 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.453 -0.339 . . . . 10.0 110.84 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 90.2 m -63.95 -48.47 76.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.53 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 490' ' ' THR . . . . . 0.432 ' HB ' ' CG1' ' B' ' 70' ' ' VAL . 3.2 p -66.13 -32.16 73.44 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.085 0.469 . . . . 10.0 109.9 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 491' ' ' ASP . . . . . 0.558 ' CG ' ' HE ' ' B' ' 72' ' ' ARG . 12.9 t0 -62.18 -54.84 35.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.266 -0.879 . . . . 10.0 109.166 178.123 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 492' ' ' ASN . . . . . 0.431 ' HB3' ' HB3' ' D' ' 497' ' ' ARG . 67.1 m-20 -57.11 -35.3 69.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.501 -1.227 . . . . 10.0 111.726 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 96.6 mt -73.7 -41.47 54.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 10.0 111.112 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 494' ' ' LEU . . . . . 0.442 HD22 ' CZ ' ' B' ' 42' ' ' ARG . 0.2 OUTLIER -66.12 -26.01 67.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.2 -0.455 . . . . 10.0 111.413 -179.56 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -86.29 -77.96 0.3 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.065 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 167.2 29.96 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.201 -0.999 . . . . 10.0 113.148 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 497' ' ' ARG . . . . . 0.431 ' HB3' ' HB3' ' D' ' 492' ' ' ASN . 5.7 tpp180 -74.96 -49.43 20.05 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 3.6 mp -86.38 122.46 38.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.145 -0.934 . . . . 10.0 108.755 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 . . . . . 0 C--N 1.324 -0.537 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.852 -179.26 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.485 1.308 0 N-CA-C 110.26 -0.274 . . . . 10.0 110.26 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 -104.33 136.55 43.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.785 0.326 . . . . 10.0 111.407 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.2 pt -130.04 168.56 22.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.503 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.435 ' O ' ' HA ' ' A' ' 66' ' ' THR . 45.9 m-85 -126.83 128.83 47.16 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.524 -0.307 . . . . 10.0 110.428 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.0 t -108.84 120.85 60.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -103.95 139.51 39.0 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.155 0.502 . . . . 10.0 111.317 -178.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.9 p -104.9 168.54 8.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.498 -0.773 . . . . 10.0 110.592 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.7 mt -67.24 -25.64 66.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.426 -0.352 . . . . 10.0 111.237 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.33 -15.04 62.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.079 -0.509 . . . . 10.0 111.822 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.51 21.5 21.75 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.582 -0.818 . . . . 10.0 112.078 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.0 tttp -105.14 136.45 44.6 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.829 0.347 . . . . 10.0 110.417 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.6 m -109.18 123.92 50.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.368 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.0 mt -104.85 132.24 52.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.521 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -89.01 133.97 34.15 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.958 -0.386 . . . . 10.0 109.958 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.4 mt -139.27 135.62 34.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.079 0.466 . . . . 10.0 111.655 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -93.12 116.92 29.49 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.39 -0.823 . . . . 10.0 108.893 178.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.6 m -136.16 173.26 14.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.142 -178.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.557 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 6.8 mm-40 -131.98 161.06 64.93 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.638 -0.71 . . . . 10.0 109.294 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.87 -27.91 74.59 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.079 1.853 . . . . 10.0 112.003 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.81 -3.2 56.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.55 -0.75 . . . . 10.0 111.452 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.557 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -70.5 128.84 37.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.92 0.39 . . . . 10.0 110.332 -179.872 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.51 148.43 26.53 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.057 -0.519 . . . . 10.0 109.744 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.1 mm -56.11 -39.02 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.737 0.303 . . . . 10.0 110.701 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -60.41 -35.23 75.28 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.681 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -71.1 -37.4 72.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.83 0.348 . . . . 10.0 110.065 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.8 t -62.14 -40.37 87.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.49 -0.559 . . . . 10.0 109.49 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -60.82 -40.63 93.46 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.686 -0.688 . . . . 10.0 109.892 178.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.96 -39.85 90.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.636 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -63.1 -36.61 84.18 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.018 0.437 . . . . 10.0 110.155 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 97.4 mt -67.95 -38.48 80.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.989 -0.55 . . . . 10.0 109.896 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -71.16 -31.12 67.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.912 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.89 -43.82 82.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.069 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -82.61 -59.13 2.62 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.442 0.534 . . . . 10.0 112.442 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -81.14 -50.83 9.13 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.387 0.514 . . . . 10.0 112.387 -178.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.32 21.13 8.17 Favored Glycine 0 C--N 1.322 -0.219 0 C-N-CA 120.378 -0.915 . . . . 10.0 112.636 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.9 mt -87.81 128.75 53.08 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 110.114 -0.328 . . . . 10.0 110.114 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -55.07 132.06 50.08 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.659 2.239 . . . . 10.0 111.687 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -60.67 -24.46 78.63 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.696 2.264 . . . . 10.0 112.774 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -66.63 -33.89 76.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.073 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -95.12 6.33 49.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.037 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -94.19 115.23 27.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.046 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -120.83 98.16 5.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.195 0.521 . . . . 10.0 109.625 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.441 ' HB3' HD12 ' A' ' 50' ' ' LEU . 58.0 mt -84.52 132.04 34.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.648 -0.706 . . . . 10.0 111.732 -178.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 74.3 mt -129.03 137.26 57.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.527 -0.76 . . . . 10.0 109.436 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.522 ' HB3' HD21 ' A' ' 50' ' ' LEU . 74.1 t80 -137.33 125.99 23.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.517 0.198 . . . . 10.0 110.809 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.96 26.96 15.65 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.911 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.422 ' HA2' ' CZ ' ' D' ' 473' ' ' TYR . . . 83.0 17.35 67.59 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.665 -0.779 . . . . 10.0 112.847 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -127.44 133.47 49.93 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.907 -0.405 . . . . 10.0 109.907 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -74.92 132.54 41.52 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.876 0.37 . . . . 10.0 110.234 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.522 HD21 ' HB3' ' A' ' 45' ' ' PHE . 41.5 mt -85.94 123.67 31.54 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.088 -179.193 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -86.59 138.52 31.63 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.035 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.66 -33.13 69.75 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.71 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.89 41.3 2.99 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.012 -0.613 . . . . 10.0 112.372 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 77.4 mmt-85 -140.58 160.76 39.32 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.633 -0.506 . . . . 10.0 109.633 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.537 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -104.72 171.49 7.29 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.521 -0.309 . . . . 10.0 110.388 179.478 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.4 HD12 ' O ' ' A' ' 18' ' ' GLU . 62.7 mt -64.98 -38.12 89.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.735 0.302 . . . . 10.0 111.417 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.96 -20.1 66.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.506 -0.315 . . . . 10.0 111.533 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.537 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.9 m-20 -63.03 -36.36 83.32 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.935 0.398 . . . . 10.0 111.116 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -107.39 19.12 20.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.071 -178.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 60.06 31.75 20.73 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.674 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.9 mt -75.97 115.64 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.018 0.437 . . . . 10.0 110.124 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -115.06 -161.58 0.78 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.521 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.435 ' HG2' ' H ' ' A' ' 63' ' ' LYS . 31.9 pttt -72.23 147.82 46.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.44 -0.345 . . . . 10.0 111.256 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 70.64 13.51 7.28 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.314 0.646 . . . . 10.0 111.798 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.4 m -77.07 133.31 39.1 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.807 0.337 . . . . 10.0 110.277 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 19.6 m -100.71 114.23 27.79 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.3 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.4 mp -95.6 136.37 36.09 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.587 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -99.74 130.4 45.95 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.968 0.413 . . . . 10.0 110.749 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.8 tp -108.19 102.67 11.8 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.578 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.4 t -89.9 121.58 40.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.993 -0.549 . . . . 10.0 109.678 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 24.5 mt . . . . . 0 C--N 1.32 -0.694 0 CA-C-N 116.22 -0.446 . . . . 10.0 110.372 -179.819 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.76 ' SD ' ' HA ' ' B' ' 63' ' ' LYS . 14.0 ptt? . . . . . 0 N--CA 1.478 0.962 0 N-CA-C 110.159 -0.311 . . . . 10.0 110.159 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.492 ' O ' ' HA ' ' B' ' 64' ' ' GLU . 71.7 mm-40 -106.55 138.76 42.14 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.062 -0.347 . . . . 10.0 110.062 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 25.4 pt -117.91 153.98 19.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 110.198 -0.297 . . . . 10.0 110.198 178.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -107.33 117.48 34.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.91 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 16.9 t -119.17 109.8 27.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.649 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -88.68 140.09 29.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.974 0.416 . . . . 10.0 110.953 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.56 168.7 8.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.559 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.424 HD23 ' HB3' ' D' ' 463' ' ' GLN . 25.8 mt -67.93 -5.85 19.07 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 111.942 0.349 . . . . 10.0 111.942 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.31 -9.38 50.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.898 0.38 . . . . 10.0 110.62 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.73 -9.06 68.62 Favored Glycine 0 C--N 1.331 0.26 0 CA-C-N 115.956 -0.565 . . . . 10.0 111.869 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -78.54 139.93 38.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.5 -0.35 . . . . 10.0 110.874 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -105.33 117.23 33.48 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.708 -0.479 . . . . 10.0 109.708 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 10.4 mt -93.87 136.36 25.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.5 -0.318 . . . . 10.0 110.685 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 5.9 m -106.45 126.59 52.44 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.388 -0.597 . . . . 10.0 109.388 178.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 48.7 mt -123.03 142.15 51.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.553 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -94.38 109.91 21.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.373 -0.83 . . . . 10.0 109.222 178.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 19.2 m -141.01 176.59 4.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.315 0.579 . . . . 10.0 111.862 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -131.72 156.98 79.42 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 108.133 -1.062 . . . . 10.0 108.133 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.43 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 47.6 Cg_exo -56.15 -34.86 94.21 Favored 'Trans proline' 0 CA--C 1.531 0.344 0 C-N-CA 122.25 1.967 . . . . 10.0 112.713 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.53 0.13 27.36 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.128 0.418 . . . . 10.0 112.128 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -74.07 141.87 45.68 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.953 -0.388 . . . . 10.0 109.953 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.65 144.51 25.68 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.609 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 51.3 mm -54.48 -36.37 34.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-O 121.078 0.466 . . . . 10.0 110.445 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -57.5 -43.83 84.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.619 -0.718 . . . . 10.0 110.592 178.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -70.99 -34.52 71.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.544 -0.753 . . . . 10.0 110.664 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 96.0 t -62.49 -40.04 86.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.555 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -63.44 -30.48 71.6 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.994 0.426 . . . . 10.0 110.624 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.15 -35.83 76.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.136 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -69.44 -34.2 74.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.177 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 84.8 mt -71.52 -40.46 71.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.858 -0.423 . . . . 10.0 109.858 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.445 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 65.4 tt0 -66.64 -24.98 66.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.222 0.534 . . . . 10.0 110.224 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -77.95 -21.66 50.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.84 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -103.32 -59.52 1.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.633 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -80.69 -27.22 37.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.536 -178.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.445 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 83.91 9.29 82.9 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.597 -0.811 . . . . 10.0 112.92 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 66.5 mt -82.84 126.8 72.06 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 110.625 -0.139 . . . . 10.0 110.625 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.457 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 30.3 Cg_exo -58.89 147.83 87.32 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.509 2.14 . . . . 10.0 112.096 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 23.1 Cg_exo -63.14 -15.36 47.52 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.596 2.197 . . . . 10.0 112.222 179.711 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.45 -32.43 62.61 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.064 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -94.64 -1.98 52.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.124 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -90.06 105.99 18.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.604 -0.725 . . . . 10.0 112.005 -178.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 -113.63 101.97 9.83 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.642 -0.874 . . . . 10.0 108.642 177.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 23.9 mt -87.29 130.91 34.42 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.142 -177.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.479 ' HA ' ' O ' ' B' ' 48' ' ' LYS . 1.4 mp -123.38 137.77 55.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.473 -0.785 . . . . 10.0 110.908 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.464 ' HB3' HD21 ' B' ' 50' ' ' LEU . 69.5 t80 -133.54 121.7 22.51 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.721 -0.844 . . . . 10.0 108.721 178.567 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.25 18.23 11.16 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.605 0.566 . . . . 10.0 111.251 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.44 10.11 57.22 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 121.093 -0.575 . . . . 10.0 113.509 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.479 ' O ' ' HA ' ' B' ' 44' ' ' ILE . 8.3 mtmt -126.92 161.02 29.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 117.045 0.423 . . . . 10.0 110.769 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -85.45 152.44 23.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.825 0.345 . . . . 10.0 111.296 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.464 HD21 ' HB3' ' B' ' 45' ' ' PHE . 48.2 mt -102.68 152.3 21.37 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.235 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.408 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 0.8 OUTLIER -95.63 147.95 23.04 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.901 -0.407 . . . . 10.0 109.901 179.632 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.91 -53.0 62.64 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.844 0.354 . . . . 10.0 111.387 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.53 52.56 4.57 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.982 -0.627 . . . . 10.0 113.118 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.408 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 18.6 mmt180 -140.49 150.75 44.15 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.107 -0.331 . . . . 10.0 110.107 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 43.6 p -102.72 168.25 9.37 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.172 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.43 ' HB2' ' HA ' ' B' ' 19' ' ' PRO . 68.1 mt -66.67 -31.7 72.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.059 0.457 . . . . 10.0 110.517 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -24.88 65.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.051 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -63.91 -34.05 77.08 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.214 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -96.64 7.3 46.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.09 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 65.86 34.86 6.99 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.062 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 95.9 mt -78.41 135.43 26.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.408 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -101.59 -170.2 1.79 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.029 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.76 ' HA ' ' SD ' ' B' ' 1' ' ' MET . 55.2 pttt -75.69 146.75 39.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.13 -0.487 . . . . 10.0 111.65 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.492 ' HA ' ' O ' ' B' ' 2' ' ' GLN . 30.2 mt-10 54.31 43.79 29.96 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.654 -0.703 . . . . 10.0 112.106 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 55.8 m -88.54 162.57 16.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.039 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.1 m -106.95 133.24 51.91 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.623 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.5 mp -122.57 153.64 38.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.119 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.586 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 35.4 m170 -101.84 132.05 47.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.601 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 53.4 tp -110.91 95.62 5.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.126 0.489 . . . . 10.0 110.311 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 54.0 t -81.35 121.6 35.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.789 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 62.4 mt -86.29 126.42 34.3 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 CA-C-O 120.898 0.38 . . . . 10.0 110.95 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 C--O 1.235 0.316 0 N-CA-C 112.797 0.665 . . . . 10.0 112.797 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -70.35 -38.53 74.83 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.753 0.279 . . . . 10.0 111.753 -178.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 95.1 mt -62.42 -43.91 97.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.689 0.281 . . . . 10.0 111.009 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -62.87 -43.76 97.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.809 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -59.99 -44.07 94.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.373 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 71.0 mtm -68.54 -40.43 80.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.099 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -68.07 -29.36 68.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.791 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -58.21 -44.92 88.39 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.76 0.281 . . . . 10.0 111.76 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 463' ' ' GLN . . . . . 0.424 ' HB3' HD23 ' B' ' 8' ' ' LEU . 0.1 OUTLIER -57.22 -32.95 67.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.143 0.497 . . . . 10.0 111.409 -179.284 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 62.2 mt -75.07 -37.22 40.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.055 -0.521 . . . . 10.0 110.016 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 -64.12 -32.13 73.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.292 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -68.11 -31.17 70.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.334 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 467' ' ' MET . . . . . 0.586 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 59.9 mtm -88.88 -24.68 22.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.901 0.381 . . . . 10.0 111.427 -179.075 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 468' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -129.15 85.5 59.53 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-O 121.163 0.506 . . . . 10.0 110.346 178.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -79.03 32.38 0.47 Allowed 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 122.66 2.24 . . . . 10.0 113.352 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.05 -2.27 2.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.755 -0.202 . . . . 10.0 111.53 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 471' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.45 130.65 22.71 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 110.458 -0.201 . . . . 10.0 110.458 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 472' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -57.66 133.57 57.35 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 122.778 2.319 . . . . 10.0 112.776 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 473' ' ' TYR . . . . . 0.422 ' CZ ' ' HA2' ' A' ' 47' ' ' GLY . 3.1 t80 -54.62 -42.86 71.69 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.664 -0.698 . . . . 10.0 112.185 -179.122 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 54.4 p-80 -65.69 -23.67 66.83 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.842 0.312 . . . . 10.0 111.842 -178.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 475' ' ' LEU . . . . . 0.43 ' O ' ' HB3' ' D' ' 478' ' ' GLN . 15.6 mt -78.27 -30.88 48.79 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.739 -0.467 . . . . 10.0 109.739 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 23.6 t -73.06 -40.58 58.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.725 -0.671 . . . . 10.0 109.392 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 52.0 mt -62.65 -24.76 67.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.428 179.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 478' ' ' GLN . . . . . 0.43 ' HB3' ' O ' ' D' ' 475' ' ' LEU . 32.7 tt0 -65.19 -56.7 11.35 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.582 -0.735 . . . . 10.0 110.716 179.688 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 479' ' ' ASP . . . . . 0.654 ' HB3' HG23 ' D' ' 489' ' ' THR . 14.9 t70 -64.91 -30.42 71.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.29 -0.413 . . . . 10.0 110.72 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 480' ' ' LEU . . . . . 0.409 ' O ' ' HA ' ' D' ' 484' ' ' ARG . 0.4 OUTLIER -61.09 -23.41 65.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.846 179.314 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -94.66 -3.59 49.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.049 0.452 . . . . 10.0 110.587 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 482' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' D' ' 482' ' ' LEU . 3.0 mm? -104.6 -57.87 1.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.178 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 483' ' ' THR . . . . . 0.406 ' HB ' HD12 ' D' ' 488' ' ' ILE . 80.3 p -87.57 -35.68 17.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.752 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 484' ' ' ARG . . . . . 0.409 ' HA ' ' O ' ' D' ' 480' ' ' LEU . 40.3 mtt180 64.61 17.55 10.95 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.581 -0.736 . . . . 10.0 111.166 179.544 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 1.6 m -138.21 122.15 17.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.356 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 16.2 m -60.85 -27.71 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.639 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -69.18 -12.8 61.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.104 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 488' ' ' ILE . . . . . 0.406 HD12 ' HB ' ' D' ' 483' ' ' THR . 34.6 mt -107.2 -46.23 7.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 489' ' ' THR . . . . . 0.654 HG23 ' HB3' ' D' ' 479' ' ' ASP . 21.8 m -54.48 -49.42 70.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.943 -0.571 . . . . 10.0 112.368 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 490' ' ' THR . . . . . 0.497 HG21 ' HE3' ' D' ' 467' ' ' MET . 3.1 m -60.33 -44.39 95.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.533 -179.101 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 491' ' ' ASP . . . . . 0.5 ' O ' ' HG2' ' D' ' 495' ' ' GLU . 28.7 t70 -68.29 -42.21 79.83 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 179.525 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 492' ' ' ASN . . . . . 0.422 ' HB3' ' HB3' ' D' ' 497' ' ' ARG . 17.8 m-20 -51.27 -38.8 54.75 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.415 -0.811 . . . . 10.0 111.544 178.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 92.0 mt -65.51 -43.41 94.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.821 0.343 . . . . 10.0 110.543 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 12.2 mt -66.96 -25.82 66.52 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 495' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' D' ' 491' ' ' ASP . 10.5 mm-40 -80.75 -47.48 13.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.339 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 130.45 13.71 2.05 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.477 -0.868 . . . . 10.0 112.39 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 497' ' ' ARG . . . . . 0.422 ' HB3' ' HB3' ' D' ' 492' ' ' ASN . 18.4 tpp180 -65.82 -41.98 91.16 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.756 -0.831 . . . . 10.0 108.756 178.606 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 4.4 mp -99.91 118.83 47.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.21 -1.033 . . . . 10.0 108.21 178.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 . . . . . 0 C--N 1.326 -0.456 0 CA-C-O 121.096 0.474 . . . . 10.0 111.301 -179.213 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.496 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 24.1 ptt? . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 110.193 -0.299 . . . . 10.0 110.193 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -95.64 143.21 27.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.743 0.306 . . . . 10.0 111.307 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.5 pt -128.37 154.08 38.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.796 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -107.18 106.32 16.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.573 -0.285 . . . . 10.0 111.037 -179.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.5 t -92.78 115.6 31.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.874 -0.417 . . . . 10.0 109.874 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.6 mttt -102.61 133.36 47.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.35 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.3 p -104.78 172.42 6.8 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.024 179.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.8 mt -58.53 -38.76 78.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.477 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.09 -10.49 59.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.775 -0.648 . . . . 10.0 112.218 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.8 0.09 62.49 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.468 -0.872 . . . . 10.0 112.73 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -69.75 117.61 11.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.878 0.37 . . . . 10.0 110.021 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -97.93 118.82 35.36 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.426 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.0 mt -109.1 126.29 66.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.69 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.23 113.5 25.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.595 179.282 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.5 mt -114.75 147.33 39.87 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.54 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -101.14 115.63 30.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.219 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.496 ' O ' ' HG2' ' A' ' 1' ' ' MET . 15.4 m -139.74 175.6 6.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.784 -0.644 . . . . 10.0 109.832 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.531 ' O ' HD12 ' A' ' 56' ' ' LEU . 8.5 mm-40 -127.5 156.07 75.8 Favored Pre-proline 0 C--N 1.32 -0.716 0 N-CA-C 109.281 -0.637 . . . . 10.0 109.281 179.223 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -51.51 -41.09 61.98 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.364 2.043 . . . . 10.0 112.93 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.62 7.43 4.57 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.737 0.644 . . . . 10.0 112.737 -178.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -80.33 158.82 25.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.914 0.388 . . . . 10.0 110.215 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 m -98.93 145.13 27.34 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.566 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.462 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 46.2 mm -55.92 -37.52 48.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.792 0.33 . . . . 10.0 110.699 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -57.8 -42.22 83.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.697 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.486 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 61.8 t30 -64.0 -36.48 84.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.115 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.7 t -62.92 -42.0 94.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.417 -0.586 . . . . 10.0 109.417 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 5.3 mmmm -61.41 -39.83 92.18 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.589 -0.732 . . . . 10.0 109.622 179.008 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.6 -39.05 91.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.529 -0.76 . . . . 10.0 110.768 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 58.0 mttt -65.0 -37.14 86.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.095 0.474 . . . . 10.0 110.012 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 95.8 mt -68.95 -35.35 68.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.411 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 64.8 tt0 -71.65 -29.36 64.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.99 178.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -73.16 -35.52 66.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.454 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -84.65 -62.98 1.42 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.82 -0.627 . . . . 10.0 111.725 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -77.84 -57.72 3.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.003 0.43 . . . . 10.0 111.247 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 116.98 11.45 9.1 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.677 -0.773 . . . . 10.0 112.351 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.9 mt -85.94 125.6 68.1 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.459 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 46.9 Cg_exo -55.5 142.72 80.39 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.521 2.147 . . . . 10.0 112.174 179.515 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 44.4 Cg_exo -56.94 -28.04 75.93 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.008 2.472 . . . . 10.0 112.958 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.32 -22.35 64.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -104.11 6.46 35.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.345 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.404 ' HB2' ' HE3' ' A' ' 27' ' ' LYS . 76.7 mt-30 -99.56 115.93 30.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.862 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -110.14 96.01 5.95 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.992 -0.373 . . . . 10.0 109.992 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.532 ' HB3' HD12 ' A' ' 50' ' ' LEU . 18.4 mt -90.95 124.55 35.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.227 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 72.6 mt -123.6 135.49 63.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.367 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -127.36 112.21 14.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.513 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.84 28.35 15.88 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.901 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.43 -18.24 57.3 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.84 -0.695 . . . . 10.0 112.826 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -94.63 125.28 39.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 122.809 -0.23 . . . . 10.0 110.474 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -73.51 134.46 43.86 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.091 -0.337 . . . . 10.0 110.091 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.532 HD12 ' HB3' ' A' ' 43' ' ' LEU . 56.7 mt -82.19 119.66 24.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.513 -179.149 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.421 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 59.1 mt-10 -84.21 142.15 30.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.86 178.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -65.16 -18.53 65.38 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.48 0.548 . . . . 10.0 112.48 -178.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.14 11.04 72.74 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.534 -0.841 . . . . 10.0 112.981 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.421 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 31.7 mmt180 -114.69 165.24 13.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.988 0.423 . . . . 10.0 110.677 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.5 p -104.05 175.67 5.41 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.678 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 18' ' ' GLU . 82.3 mt -72.55 -33.62 66.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.036 0.446 . . . . 10.0 110.256 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -23.13 63.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.827 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -62.25 -38.15 88.18 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.452 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -98.26 6.17 47.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.406 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 61.87 41.94 10.96 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.624 -0.716 . . . . 10.0 111.566 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 84.1 mt -83.47 122.38 37.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.561 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -104.03 -168.0 1.44 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.347 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.0 pttp -75.71 150.2 37.91 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.504 -0.316 . . . . 10.0 110.466 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 65.11 28.31 12.3 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.901 -0.591 . . . . 10.0 111.502 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.0 m -85.49 150.47 24.66 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.187 -0.301 . . . . 10.0 110.187 179.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.2 m -99.87 122.98 43.64 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.103 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -112.35 137.85 49.91 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.804 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.57 123.17 44.41 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.558 -0.292 . . . . 10.0 110.727 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.6 tp -112.82 107.01 15.47 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.994 0.426 . . . . 10.0 110.581 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.4 t -96.75 144.29 10.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.767 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 94.6 mt . . . . . 0 C--N 1.326 -0.423 0 CA-C-O 121.06 0.457 . . . . 10.0 111.465 -179.18 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.482 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 21.5 ptt? . . . . . 0 N--CA 1.482 1.161 0 N-CA-C 110.238 -0.282 . . . . 10.0 110.238 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -108.89 142.07 40.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.635 0.255 . . . . 10.0 110.883 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 21.4 pt -130.07 156.79 42.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.192 -0.67 . . . . 10.0 109.192 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -114.98 111.81 21.72 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.904 0.383 . . . . 10.0 110.905 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 46.0 t -93.4 112.83 27.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.916 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -91.92 123.39 35.25 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.035 0.445 . . . . 10.0 110.537 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.48 155.93 16.53 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.678 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 11.1 mt -58.5 -19.65 39.1 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.523 0.564 . . . . 10.0 112.523 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.11 -7.24 59.66 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.043 0.386 . . . . 10.0 112.043 -179.37 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.72 21.37 31.41 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.579 -0.819 . . . . 10.0 111.348 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -102.41 137.11 41.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.341 -0.429 . . . . 10.0 110.057 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -114.58 113.54 24.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.916 0.389 . . . . 10.0 110.608 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 12.2 mt -102.68 118.88 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.348 -179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -89.58 113.52 24.96 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.946 -0.39 . . . . 10.0 109.946 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.7 mt -113.34 146.48 39.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.792 0.33 . . . . 10.0 111.575 -179.091 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -93.43 116.65 29.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.685 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.482 ' O ' ' HG2' ' B' ' 1' ' ' MET . 15.7 m -136.45 177.1 6.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.516 -179.566 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.429 ' O ' HD12 ' B' ' 56' ' ' LEU . 7.0 mm-40 -141.42 160.46 56.96 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -48.6 -39.86 37.55 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 123.209 2.606 . . . . 10.0 114.736 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 14.8 m -84.84 6.1 26.05 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.717 0.636 . . . . 10.0 112.717 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -79.11 128.25 33.04 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.865 -0.42 . . . . 10.0 109.865 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.86 149.87 43.15 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.867 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.408 HG12 ' O ' ' B' ' 54' ' ' ARG . 46.9 mm -58.07 -36.49 57.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.185 0.517 . . . . 10.0 109.802 179.058 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -58.64 -36.87 74.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.353 -0.839 . . . . 10.0 110.811 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -67.18 -33.66 75.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 10.0 109.981 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 24.7 t -66.63 -39.83 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 109.368 -0.605 . . . . 10.0 109.368 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.456 ' HE3' ' O ' ' B' ' 41' ' ' GLN . 2.0 mmmm -61.32 -42.14 98.19 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.628 -0.714 . . . . 10.0 109.509 179.092 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.04 -38.49 91.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.464 -0.789 . . . . 10.0 110.833 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -64.87 -37.41 87.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.49 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 80.4 mt -70.32 -39.85 77.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.61 -0.515 . . . . 10.0 109.61 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -65.32 -38.21 89.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.662 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -61.8 -36.52 81.36 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.596 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -88.49 -59.45 2.23 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.954 0.724 . . . . 10.0 112.954 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -77.41 -28.93 52.85 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.308 0.855 . . . . 10.0 113.308 -176.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.17 -2.45 78.85 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.592 -0.813 . . . . 10.0 112.513 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 56.0 mt -77.2 121.68 84.98 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 110.274 -0.269 . . . . 10.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.486 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 45.6 Cg_exo -55.93 140.72 86.15 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.547 2.164 . . . . 10.0 111.95 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 35.0 Cg_exo -60.95 -18.9 60.03 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.213 2.609 . . . . 10.0 113.135 -179.411 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -63.34 -40.81 98.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.264 -0.426 . . . . 10.0 111.99 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.428 ' OE1' ' HB2' ' B' ' 37' ' ' PRO . 21.0 mp0 -88.95 1.03 56.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.727 0.299 . . . . 10.0 111.605 -179.117 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.456 ' O ' ' HE3' ' B' ' 27' ' ' LYS . 78.4 mt-30 -87.55 110.3 20.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.455 -0.338 . . . . 10.0 111.471 -179.253 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.4 ' NE ' HD22 ' D' ' 494' ' ' LEU . 35.4 ttt180 -112.3 101.98 10.16 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.725 -0.843 . . . . 10.0 108.725 178.125 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 40.4 mt -78.75 121.38 24.67 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.16 0.505 . . . . 10.0 111.49 -178.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -111.35 152.11 13.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.313 -0.858 . . . . 10.0 109.768 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -140.59 89.78 2.3 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.828 -0.349 . . . . 10.0 111.437 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.29 41.92 25.0 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 113.25 0.833 . . . . 10.0 113.25 178.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.36 -21.45 19.53 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.091 -1.052 . . . . 10.0 112.918 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -103.12 179.63 4.22 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.51 0.195 . . . . 10.0 110.877 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -132.51 141.65 48.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.177 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 22.8 mt -92.22 146.32 23.8 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.005 -0.369 . . . . 10.0 110.005 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.487 ' HB2' ' HG2' ' B' ' 54' ' ' ARG . 35.1 mt-10 -109.61 145.29 36.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.826 0.346 . . . . 10.0 110.972 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.01 -28.02 69.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.754 -0.657 . . . . 10.0 112.532 -178.601 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.39 17.03 50.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.793 -0.718 . . . . 10.0 113.431 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.487 ' HG2' ' HB2' ' B' ' 51' ' ' GLU . 37.3 mmm-85 -121.57 166.26 14.48 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 122.453 -0.439 . . . . 10.0 110.2 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.517 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 76.7 p -110.95 174.75 5.71 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.165 -0.309 . . . . 10.0 110.165 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.429 HD12 ' O ' ' B' ' 18' ' ' GLU . 70.2 mt -69.15 -26.87 65.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.848 0.356 . . . . 10.0 110.668 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.1 m -73.34 -23.59 60.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.276 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.517 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.1 m-20 -58.06 -50.15 74.44 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.257 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -92.64 7.33 43.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.53 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 49.5 t30 57.82 55.83 5.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.293 -0.867 . . . . 10.0 111.22 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 87.8 mt -90.03 124.62 42.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.319 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -100.58 -168.75 1.62 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.951 0.405 . . . . 10.0 111.286 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -78.76 151.52 32.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.02 -0.537 . . . . 10.0 111.025 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 66.94 19.85 10.56 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.685 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 28.3 m -82.17 142.47 32.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.618 -0.265 . . . . 10.0 110.295 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.5 m -97.94 121.99 40.51 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.411 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mp -106.63 149.2 27.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.225 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -103.57 128.25 50.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.339 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 68.4 tp -110.22 104.6 13.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.723 0.297 . . . . 10.0 110.941 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 93.3 t -95.73 134.96 31.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.414 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 75.2 mt -98.56 117.57 33.3 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.097 -0.705 . . . . 10.0 109.097 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.599 ' HB2' ' OD1' ' D' ' 491' ' ' ASP . 1.6 ptm180 . . . . . 0 C--N 1.32 -0.683 0 CA-C-O 120.709 0.29 . . . . 10.0 110.859 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.237 0.406 0 CA-C-O 120.881 0.372 . . . . 10.0 111.295 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -73.38 -38.95 65.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.485 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 60.5 mt -62.56 -39.18 92.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.679 -0.691 . . . . 10.0 110.706 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -65.39 -45.68 83.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.82 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -59.81 -43.94 94.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.959 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 39.0 mtm -64.77 -43.81 92.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.904 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.02 -38.4 90.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.335 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -60.04 -36.8 78.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.018 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 11.0 tp60 -66.25 -34.56 78.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.859 0.361 . . . . 10.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 464' ' ' ILE . . . . . 0.485 ' HA ' ' HE2' ' D' ' 467' ' ' MET . 72.7 mt -71.2 -32.1 46.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.079 0.466 . . . . 10.0 110.258 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -62.11 -31.34 71.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.41 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -70.16 -28.31 65.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.839 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 467' ' ' MET . . . . . 0.485 ' HE2' ' HA ' ' D' ' 464' ' ' ILE . 58.5 mtm -85.28 -44.84 12.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.611 -178.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 468' ' ' PHE . . . . . 0.573 ' O ' HG12 ' D' ' 471' ' ' VAL . 1.4 m-30 -114.94 86.65 13.77 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 116.33 -0.395 . . . . 10.0 110.185 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 469' ' ' PRO . . . . . 0.482 ' HD3' ' O ' ' D' ' 467' ' ' MET . 8.6 Cg_exo -71.56 9.81 0.9 Allowed 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 123.037 2.492 . . . . 10.0 113.29 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -119.4 6.59 11.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.537 -0.301 . . . . 10.0 111.608 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 471' ' ' VAL . . . . . 0.573 HG12 ' O ' ' D' ' 468' ' ' PHE . 8.0 p -102.5 134.38 19.97 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 120.637 0.256 . . . . 10.0 111.111 -179.258 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 472' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' D' ' 471' ' ' VAL . 23.2 Cg_exo -65.99 126.5 15.97 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.518 2.145 . . . . 10.0 111.682 178.211 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -53.45 -42.81 67.54 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.809 0.67 . . . . 10.0 112.809 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -63.67 -29.56 70.78 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.636 0.236 . . . . 10.0 111.636 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 475' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' D' ' 475' ' ' LEU . 16.1 mt -74.34 -33.54 63.17 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.418 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 21.3 t -67.59 -41.44 85.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.338 -0.616 . . . . 10.0 109.338 178.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 477' ' ' LEU . . . . . 0.496 ' O ' ' HG3' ' D' ' 481' ' ' GLN . 26.6 mt -65.26 -26.56 68.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.572 -0.74 . . . . 10.0 110.768 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -63.16 -52.47 62.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 479' ' ' ASP . . . . . 0.605 ' HB3' HG23 ' D' ' 489' ' ' THR . 12.6 t70 -67.12 -34.77 78.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.405 -0.362 . . . . 10.0 110.393 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 480' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' D' ' 480' ' ' LEU . 0.4 OUTLIER -58.5 -26.62 63.65 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.219 179.68 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 481' ' ' GLN . . . . . 0.496 ' HG3' ' O ' ' D' ' 477' ' ' LEU . 65.1 mt-30 -81.58 -23.02 37.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.174 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 482' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' D' ' 482' ' ' LEU . 3.5 mm? -93.56 -54.89 3.47 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.233 0.457 . . . . 10.0 112.233 -178.152 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 70.3 p -87.61 -39.43 15.07 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.263 0.468 . . . . 10.0 112.263 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 64.68 30.35 12.56 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.269 0.557 . . . . 10.0 110.38 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 11.3 m -146.95 119.76 8.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.216 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 486' ' ' VAL . . . . . 0.414 HG12 HD11 ' D' ' 464' ' ' ILE . 2.7 m -57.07 -34.08 44.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 112.197 0.443 . . . . 10.0 112.197 -179.222 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -60.93 -47.01 88.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.012 0.434 . . . . 10.0 110.337 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 16.5 mt -73.77 -42.56 54.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.716 -0.674 . . . . 10.0 110.802 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 489' ' ' THR . . . . . 0.605 HG23 ' HB3' ' D' ' 479' ' ' ASP . 90.8 m -55.53 -54.11 48.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.42 -0.355 . . . . 10.0 111.855 -179.329 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 1.4 m -64.98 -36.9 85.87 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.978 -0.289 . . . . 10.0 111.51 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 491' ' ' ASP . . . . . 0.599 ' OD1' ' HB2' ' B' ' 72' ' ' ARG . 23.0 t70 -66.83 -43.75 82.92 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.704 -0.48 . . . . 10.0 109.704 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -56.96 -44.58 82.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.231 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 89.8 mt -67.36 -43.18 87.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.844 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 494' ' ' LEU . . . . . 0.4 HD22 ' NE ' ' B' ' 42' ' ' ARG . 0.1 OUTLIER -66.69 -30.43 70.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.471 -0.331 . . . . 10.0 111.423 -179.674 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -80.67 -40.7 25.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.308 -0.405 . . . . 10.0 111.377 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 123.58 28.43 1.3 Allowed Glycine 0 CA--C 1.518 0.253 0 C-N-CA 120.294 -0.955 . . . . 10.0 113.263 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -68.24 -27.64 66.53 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.265 0.555 . . . . 10.0 109.983 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 2.9 mp -118.65 123.61 71.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.215 -0.902 . . . . 10.0 108.739 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 . . . . . 0 C--N 1.324 -0.538 0 CA-C-O 121.18 0.514 . . . . 10.0 111.644 -179.585 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.595 0.236 . . . . 10.0 110.368 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -108.09 142.01 38.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.622 -0.263 . . . . 10.0 110.635 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.2 pt -127.28 153.36 36.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.334 -0.394 . . . . 10.0 109.948 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -110.97 103.18 11.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.254 0.55 . . . . 10.0 111.065 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.1 t -92.68 120.48 42.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.686 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -105.24 127.95 53.19 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.238 0.542 . . . . 10.0 111.377 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.36 154.19 18.71 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.594 -0.73 . . . . 10.0 109.349 178.661 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.5 mt -72.58 54.89 0.35 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.077 0.465 . . . . 10.0 111.776 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.51 23.72 0.12 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.181 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.39 38.69 95.21 Favored Glycine 0 C--N 1.334 0.437 0 C-N-CA 121.008 -0.615 . . . . 10.0 112.059 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -118.95 131.29 56.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.509 0.195 . . . . 10.0 110.713 -178.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.0 m -118.8 124.22 46.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.858 0.361 . . . . 10.0 110.661 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.3 mt -118.15 124.89 73.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.081 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -96.96 109.2 21.99 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.855 0.36 . . . . 10.0 110.308 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.2 mt -108.28 153.78 22.74 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.803 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -98.82 126.38 44.45 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.911 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.1 m -143.82 175.11 3.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.218 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 4.7 mm-40 -135.67 164.6 42.29 Favored Pre-proline 0 C--N 1.317 -0.836 0 N-CA-C 108.691 -0.855 . . . . 10.0 108.691 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -53.44 -37.39 81.94 Favored 'Trans proline' 0 CA--C 1.534 0.48 0 C-N-CA 122.267 1.978 . . . . 10.0 112.958 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.09 3.37 30.83 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.417 0.525 . . . . 10.0 112.417 -179.015 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.7 OUTLIER -73.07 129.1 37.33 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 109.65 -0.5 . . . . 10.0 109.65 179.681 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.424 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -80.81 147.92 30.23 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.868 -179.462 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.616 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 49.6 mm -58.11 -41.42 80.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.053 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -58.48 -38.71 78.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.675 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.487 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 65.9 t30 -68.21 -36.37 79.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.041 179.616 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 22' ' ' THR . 59.1 t -63.28 -37.58 79.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.956 -0.565 . . . . 10.0 109.737 179.062 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.616 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 6.7 mmmm -61.36 -40.01 92.72 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.716 -0.675 . . . . 10.0 109.972 179.147 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.98 -38.83 89.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.505 -0.77 . . . . 10.0 110.796 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.487 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 52.2 mttt -61.02 -39.67 90.63 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.124 0.488 . . . . 10.0 110.15 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 68.9 mt -70.19 -39.09 76.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.882 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -64.4 -30.69 71.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.796 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -76.69 -38.04 55.11 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.134 0.42 . . . . 10.0 112.134 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -87.04 -37.13 17.75 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.965 0.728 . . . . 10.0 112.965 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -99.72 -33.45 10.58 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.3 0.482 . . . . 10.0 112.3 -178.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.94 0.15 68.84 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.519 -0.848 . . . . 10.0 112.017 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.6 mt -77.94 127.7 81.06 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 110.298 -0.26 . . . . 10.0 110.298 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 18.2 Cg_endo -61.11 136.63 66.28 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.438 2.092 . . . . 10.0 112.288 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.4 Cg_exo -58.75 -24.7 72.68 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.808 2.339 . . . . 10.0 112.629 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.52 -22.64 67.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.949 -0.568 . . . . 10.0 111.691 -179.642 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -108.41 5.38 25.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.868 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.485 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 79.6 mt-30 -94.66 111.67 23.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.05 -179.406 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.7 mtt180 -112.28 99.84 8.34 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.912 -0.403 . . . . 10.0 109.912 178.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.7 mt -85.48 120.07 26.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.816 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -114.14 132.62 62.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.385 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -125.17 109.83 13.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.079 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.83 15.77 9.31 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.53 -0.759 . . . . 10.0 111.993 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.529 ' HA2' ' HB3' ' D' ' 473' ' ' TYR . . . 114.33 -31.4 6.46 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.599 -0.81 . . . . 10.0 112.725 179.563 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -84.09 137.91 33.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.887 0.375 . . . . 10.0 110.4 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -82.59 135.94 34.94 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.565 -0.531 . . . . 10.0 109.565 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.9 mt -80.41 133.56 35.9 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.429 -0.35 . . . . 10.0 110.596 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.515 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 3.0 mt-10 -86.38 144.14 27.48 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 179.115 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.41 -45.95 80.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.928 -0.578 . . . . 10.0 112.333 -178.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.45 43.29 3.18 Favored Glycine 0 CA--C 1.516 0.109 0 C-N-CA 120.758 -0.734 . . . . 10.0 114.234 -178.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.515 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 30.3 mmt180 -133.51 167.48 20.38 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.608 -0.516 . . . . 10.0 109.608 179.006 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.2 p -109.77 169.38 8.75 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.901 -0.407 . . . . 10.0 109.901 178.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.438 HD12 ' O ' ' A' ' 18' ' ' GLU . 63.4 mt -65.87 -31.62 72.66 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.109 0.48 . . . . 10.0 110.66 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.26 -20.48 63.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.23 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -70.08 -19.75 63.25 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.198 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -116.19 8.29 14.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.603 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t30 63.7 31.76 14.18 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.556 -0.747 . . . . 10.0 111.456 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.1 mt -76.76 122.98 32.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.11 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -111.36 -168.32 1.29 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.532 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -71.42 150.4 45.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.783 0.325 . . . . 10.0 111.491 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 66.2 15.35 10.05 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.418 -0.81 . . . . 10.0 112.413 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.9 m -78.01 139.36 39.12 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.904 0.383 . . . . 10.0 110.248 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.84 130.76 37.55 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.691 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.3 mp -120.44 141.29 50.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.226 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.2 m80 -95.59 121.89 37.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.361 -0.382 . . . . 10.0 111.15 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.6 tp -100.02 97.51 8.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.202 0.525 . . . . 10.0 110.043 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.4 HG13 ' HB2' ' D' ' 469' ' ' PRO . 25.6 t -88.73 134.99 26.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.381 -0.827 . . . . 10.0 110.752 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.6 mt . . . . . 0 C--N 1.325 -0.499 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 179.044 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.482 1.153 0 N-CA-C 109.914 -0.402 . . . . 10.0 109.914 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -100.84 135.0 42.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.604 0.24 . . . . 10.0 110.678 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 28.0 pt -125.6 153.37 33.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -116.7 110.92 19.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.782 0.325 . . . . 10.0 110.714 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 15.7 t -98.47 113.75 34.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.071 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -96.59 136.82 36.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.868 0.366 . . . . 10.0 110.468 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.8 p -105.76 168.39 9.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.917 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.569 HD22 ' HB ' ' D' ' 486' ' ' VAL . 13.2 mt -61.9 -22.15 65.33 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.057 0.456 . . . . 10.0 110.923 178.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.84 -12.21 60.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.833 -0.621 . . . . 10.0 111.734 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.91 -3.0 62.18 Favored Glycine 0 C--N 1.329 0.16 0 C-N-CA 121.018 -0.61 . . . . 10.0 112.444 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -76.69 138.17 39.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.772 0.32 . . . . 10.0 110.953 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.9 m -111.68 107.53 16.67 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.346 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.2 mt -91.16 130.2 40.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.521 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m -99.77 131.58 45.66 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.552 -0.536 . . . . 10.0 109.552 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 88.9 mt -132.11 129.72 40.27 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.837 0.351 . . . . 10.0 111.124 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -87.17 90.76 8.48 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.492 HG12 ' HE3' ' B' ' 29' ' ' LYS . 33.7 m -114.01 179.9 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.696 -0.683 . . . . 10.0 110.693 -178.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -133.69 154.04 80.42 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 109.295 -0.632 . . . . 10.0 109.295 179.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -53.33 -37.55 81.3 Favored 'Trans proline' 0 N--CA 1.472 0.257 0 C-N-CA 122.761 2.308 . . . . 10.0 113.064 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -6.66 49.11 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 112.789 0.663 . . . . 10.0 112.789 -178.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -76.49 151.28 36.47 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.848 -0.427 . . . . 10.0 109.848 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.479 ' O ' HG23 ' B' ' 26' ' ' VAL . 3.2 p -94.44 151.95 18.97 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.691 -178.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.3 mm -59.14 -37.87 70.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.261 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.27 -42.95 92.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.593 178.644 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.4 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 57.8 t30 -69.52 -33.69 73.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.57 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.479 HG23 ' O ' ' B' ' 22' ' ' THR . 82.7 t -62.47 -42.81 97.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 178.737 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -63.96 -33.08 74.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.763 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.64 -35.47 80.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.093 0.473 . . . . 10.0 110.316 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.492 ' HE3' HG12 ' B' ' 17' ' ' VAL . 35.4 mttm -67.78 -37.04 81.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.188 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 69.5 mt -67.66 -29.21 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.635 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.531 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 62.4 tt0 -72.75 -29.89 63.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.84 178.723 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -78.38 -42.46 30.26 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.818 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.2 mttt -74.81 -68.1 0.58 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.957 0.408 . . . . 10.0 111.087 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -73.13 -58.9 2.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.942 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.531 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 113.29 25.38 4.41 Favored Glycine 0 C--N 1.32 -0.312 0 C-N-CA 120.622 -0.799 . . . . 10.0 111.937 -178.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 43.2 mt -96.97 129.31 32.77 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.76 -0.22 . . . . 10.0 110.494 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.473 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 42.9 Cg_exo -56.81 133.84 60.63 Favored 'Trans proline' 0 CA--C 1.53 0.302 0 C-N-CA 122.185 1.923 . . . . 10.0 111.71 179.175 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 37.7 Cg_exo -60.25 -15.02 32.31 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.865 2.376 . . . . 10.0 112.973 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -78.0 -25.12 47.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.801 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -102.21 -2.88 28.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.608 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -83.41 106.42 15.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.801 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.491 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 7.8 mtp180 -100.81 93.16 5.4 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.546 -0.538 . . . . 10.0 109.546 179.145 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 15.1 mt -79.91 128.02 32.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.492 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.2 mp -126.57 137.12 58.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.603 -0.726 . . . . 10.0 109.577 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -129.63 107.28 9.32 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.595 -0.521 . . . . 10.0 109.595 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.5 19.55 11.84 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.997 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.64 -19.19 21.83 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.588 -0.815 . . . . 10.0 113.877 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -108.98 145.91 34.73 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 117.229 0.514 . . . . 10.0 111.455 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -74.72 160.31 30.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.974 -0.557 . . . . 10.0 111.455 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 38.6 mt -111.74 130.43 55.79 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.486 -0.779 . . . . 10.0 109.657 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -78.32 145.36 35.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.752 0.31 . . . . 10.0 110.984 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.19 -51.83 66.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.846 -0.615 . . . . 10.0 111.967 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.61 50.76 4.46 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 121.067 -0.587 . . . . 10.0 113.647 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 84.2 mmt-85 -135.28 155.96 49.76 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.077 -0.342 . . . . 10.0 110.077 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.57 156.77 16.63 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.29 179.289 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.2 mt -65.36 -31.16 72.13 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.865 0.364 . . . . 10.0 110.627 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.61 -23.17 62.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.088 -0.506 . . . . 10.0 111.175 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -70.59 -29.8 66.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.939 0.4 . . . . 10.0 110.495 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -96.73 6.57 48.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 58.7 t30 63.21 27.64 15.62 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.49 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 67.8 mt -77.08 98.2 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 110.065 -0.346 . . . . 10.0 110.065 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -84.41 -168.83 2.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.75 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -75.7 147.9 39.03 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.424 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 66.9 25.12 9.53 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.35 -0.841 . . . . 10.0 111.963 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.7 m -88.98 143.94 26.51 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.568 -0.287 . . . . 10.0 110.384 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 18.2 m -93.83 123.83 37.44 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.956 0.408 . . . . 10.0 111.24 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -108.1 148.82 29.28 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.028 -0.731 . . . . 10.0 109.028 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -106.63 126.6 52.48 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.851 0.358 . . . . 10.0 110.625 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 60.6 tp -110.51 100.06 8.94 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.924 0.392 . . . . 10.0 110.25 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.491 ' HB ' ' HB2' ' B' ' 42' ' ' ARG . 90.5 t -83.64 130.23 36.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.5 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 22.7 mt -84.42 151.68 24.5 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.494 -0.558 . . . . 10.0 109.494 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 54.4 ttt-85 . . . . . 0 C--N 1.326 -0.413 0 CA-C-O 120.796 0.331 . . . . 10.0 111.609 -178.825 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.718 0.294 . . . . 10.0 111.661 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -65.39 -38.63 90.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 10.0 110.646 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.96 -42.67 99.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.504 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -66.02 -41.45 90.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.852 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.35 -45.55 90.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.452 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 58.3 mtm -64.54 -41.43 96.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.64 -37.16 86.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.031 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -57.09 -45.52 83.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.843 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 463' ' ' GLN . . . . . 0.403 ' NE2' ' HA ' ' D' ' 463' ' ' GLN . 9.6 tp60 -58.72 -32.34 69.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.878 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 464' ' ' ILE . . . . . 0.418 HD11 HG12 ' D' ' 486' ' ' VAL . 62.3 mt -77.69 -36.55 22.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.283 179.503 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 40.3 tp60 -63.35 -32.41 73.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.296 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -69.44 -24.72 63.86 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.924 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 66.8 mtm -92.87 -37.54 12.22 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.704 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 468' ' ' PHE . . . . . 0.474 ' O ' HG12 ' D' ' 471' ' ' VAL . 17.6 m-85 -118.22 98.56 51.49 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.084 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 469' ' ' PRO . . . . . 0.4 ' HB2' HG13 ' A' ' 70' ' ' VAL . 73.5 Cg_endo -78.44 -0.17 10.47 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.708 2.272 . . . . 10.0 112.999 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -119.09 28.7 8.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.577 -0.283 . . . . 10.0 111.583 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 471' ' ' VAL . . . . . 0.474 HG12 ' O ' ' D' ' 468' ' ' PHE . 7.7 p -117.72 132.29 23.7 Favored Pre-proline 0 C--N 1.324 -0.501 0 C-N-CA 121.059 -0.256 . . . . 10.0 110.533 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 472' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' D' ' 471' ' ' VAL . 24.3 Cg_exo -65.8 117.75 4.9 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.35 2.033 . . . . 10.0 111.612 178.554 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 473' ' ' TYR . . . . . 0.529 ' HB3' ' HA2' ' A' ' 47' ' ' GLY . 33.0 t80 -51.86 -42.02 62.32 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.762 -0.654 . . . . 10.0 112.596 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -66.22 -29.99 70.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.558 0.218 . . . . 10.0 111.303 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 475' ' ' LEU . . . . . 0.432 HD12 ' HG2' ' D' ' 472' ' ' PRO . 13.7 mt -74.65 -33.93 62.63 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.744 -0.465 . . . . 10.0 109.744 179.246 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 476' ' ' VAL . . . . . 0.419 HG23 ' O ' ' D' ' 472' ' ' PRO . 37.1 t -64.99 -41.26 91.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.298 -0.63 . . . . 10.0 109.298 178.664 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 81.9 mt -64.04 -28.65 69.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.577 -0.738 . . . . 10.0 110.55 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -71.64 -51.3 23.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.376 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 479' ' ' ASP . . . . . 0.491 ' HB3' HG23 ' D' ' 489' ' ' THR . 11.4 t70 -62.03 -37.56 85.38 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.959 -0.385 . . . . 10.0 109.959 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 480' ' ' LEU . . . . . 0.412 ' O ' ' HA ' ' D' ' 484' ' ' ARG . 0.2 OUTLIER -59.82 -22.78 62.7 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.846 -0.615 . . . . 10.0 111.134 179.317 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -91.08 -16.75 27.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.62 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -93.63 -51.86 4.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.959 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 65.1 p -88.49 -38.35 15.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.078 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 484' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' D' ' 480' ' ' LEU . 4.3 mtt180 65.03 31.63 11.02 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.561 -0.745 . . . . 10.0 111.587 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.39 120.96 4.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.202 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 486' ' ' VAL . . . . . 0.569 ' HB ' HD22 ' B' ' 8' ' ' LEU . 6.5 m -62.24 -26.01 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.221 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -75.61 0.57 17.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.237 0.541 . . . . 10.0 110.838 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 67.6 mt -121.87 -41.05 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.592 178.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 489' ' ' THR . . . . . 0.491 HG23 ' HB3' ' D' ' 479' ' ' ASP . 81.6 m -57.3 -57.5 12.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 10.0 111.933 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.16 -40.03 80.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.997 0.427 . . . . 10.0 110.954 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -66.99 -43.41 83.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.91 -0.587 . . . . 10.0 110.201 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -54.36 -34.5 61.28 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.453 179.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 493' ' ' ILE . . . . . 0.423 HG13 ' O ' ' D' ' 489' ' ' THR . 54.5 mt -71.13 -45.07 73.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.036 0.446 . . . . 10.0 110.297 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 494' ' ' LEU . . . . . 0.452 HD21 ' HZ ' ' D' ' 468' ' ' PHE . 5.8 mt -66.91 -36.36 82.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.723 -0.672 . . . . 10.0 111.43 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -71.22 -47.2 58.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.526 -0.306 . . . . 10.0 110.467 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 127.69 93.94 0.82 Allowed Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.686 -0.768 . . . . 10.0 112.406 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -159.12 -49.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.912 0.387 . . . . 10.0 110.056 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 1.9 mp -69.37 136.02 27.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.771 -0.649 . . . . 10.0 109.984 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.915 -179.797 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.655 0.264 . . . . 10.0 110.626 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 -106.97 137.34 45.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.407 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.5 pt -125.49 164.82 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.636 -0.256 . . . . 10.0 110.332 178.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -119.68 126.32 50.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.895 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.4 t -116.02 124.07 71.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.491 -0.559 . . . . 10.0 109.491 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.504 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 38.2 ttmt -107.75 127.47 53.72 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.995 0.426 . . . . 10.0 111.69 -178.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.75 176.1 7.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.824 179.196 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 92.3 mt -65.58 -19.99 66.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.387 -0.37 . . . . 10.0 111.699 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.54 0.12 47.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.799 0.333 . . . . 10.0 111.418 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.33 22.74 62.17 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.688 -0.768 . . . . 10.0 111.611 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.504 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 80.7 tttt -95.81 126.17 40.89 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.209 -0.293 . . . . 10.0 110.209 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -105.1 115.78 30.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.015 0.436 . . . . 10.0 110.799 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.0 mt -104.76 137.72 32.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.524 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.4 m -98.11 127.27 43.96 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.97 -0.382 . . . . 10.0 109.97 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.4 mt -124.05 148.92 46.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.749 0.309 . . . . 10.0 111.435 -179.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -98.07 117.37 32.28 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.357 -0.609 . . . . 10.0 109.357 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.9 m -142.19 173.26 7.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.189 -0.459 . . . . 10.0 110.94 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.497 ' O ' HD12 ' A' ' 56' ' ' LEU . 19.0 mm-40 -130.22 155.16 81.26 Favored Pre-proline 0 C--N 1.321 -0.65 0 N-CA-C 108.861 -0.792 . . . . 10.0 108.861 178.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.18 -30.11 59.58 Favored 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 122.683 2.255 . . . . 10.0 112.965 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 p -81.1 -2.21 47.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.304 -0.407 . . . . 10.0 112.061 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 3.0 t0 -73.45 147.5 44.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.032 0.444 . . . . 10.0 111.106 -179.186 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.29 146.49 23.67 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.518 -0.765 . . . . 10.0 110.665 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.438 HG12 ' O ' ' A' ' 54' ' ' ARG . 39.1 mm -56.83 -41.2 75.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 10.0 110.856 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -58.71 -38.79 79.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.619 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.4 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 65.5 t30 -69.74 -34.81 74.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.961 0.41 . . . . 10.0 110.416 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.5 t -62.86 -43.11 98.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.505 -0.554 . . . . 10.0 109.505 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -65.53 -34.23 77.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.952 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.43 -35.08 79.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.925 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 89.6 mttt -69.84 -35.61 74.88 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.611 178.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.4 mt -69.12 -35.38 68.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 116.033 -0.53 . . . . 10.0 109.794 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -64.78 -28.23 69.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.769 -0.651 . . . . 10.0 110.643 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -81.6 -21.31 38.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.049 0.452 . . . . 10.0 110.964 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -91.46 -50.28 5.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.709 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -93.59 -41.64 9.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.736 -178.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.5 -2.12 36.89 Favored Glycine 0 C--N 1.321 -0.251 0 C-N-CA 120.652 -0.785 . . . . 10.0 111.54 -178.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 29.4 mt -75.07 129.22 83.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.433 -0.384 . . . . 10.0 110.846 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 23.2 Cg_exo -63.39 145.12 92.32 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.474 2.116 . . . . 10.0 111.837 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 34.2 Cg_exo -60.52 -19.28 58.79 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.72 2.28 . . . . 10.0 112.2 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.09 -28.61 69.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.233 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -109.3 15.05 23.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.683 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -103.32 106.47 16.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.5 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -111.23 102.97 11.35 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.543 -0.54 . . . . 10.0 109.543 178.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.2 mt -86.37 125.67 33.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.197 0.522 . . . . 10.0 111.428 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 56.5 mt -122.16 124.55 71.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.147 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -109.52 102.62 11.47 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.863 0.363 . . . . 10.0 110.889 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.78 32.41 21.86 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.569 -0.742 . . . . 10.0 112.326 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.75 -20.99 43.96 Favored Glycine 0 C--O 1.229 -0.211 0 C-N-CA 120.601 -0.809 . . . . 10.0 112.415 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.8 mtmt -92.73 111.87 23.63 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.147 -0.316 . . . . 10.0 110.147 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.52 136.01 50.84 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.092 -0.336 . . . . 10.0 110.092 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.408 HD13 HD12 ' A' ' 23' ' ' ILE . 22.1 mt -87.79 144.91 26.36 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.763 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.503 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 0.4 OUTLIER -102.2 137.67 40.16 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.457 -0.572 . . . . 10.0 109.457 179.089 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -49.06 -45.52 43.11 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.02 0.748 . . . . 10.0 113.02 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.12 33.74 3.11 Favored Glycine 0 CA--C 1.52 0.393 0 C-N-CA 121.056 -0.592 . . . . 10.0 114.186 -178.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.503 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 22.0 mmt180 -127.26 165.13 20.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 117.159 0.48 . . . . 10.0 110.068 179.38 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.467 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 58.7 p -107.48 169.44 8.58 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.56 -0.291 . . . . 10.0 110.576 179.452 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 18' ' ' GLU . 95.9 mt -67.08 -29.29 69.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.157 0.503 . . . . 10.0 110.183 179.335 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.4 m -73.15 -17.77 61.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.741 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.467 ' HB2' ' O ' ' A' ' 55' ' ' THR . 2.6 m-20 -68.17 -28.19 67.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.994 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -112.08 5.85 18.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.758 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 t30 60.13 48.81 7.99 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.689 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 82.0 mt -86.73 111.18 21.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.749 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -91.54 -171.89 3.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.85 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.4 pttt -74.17 151.09 40.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 68.05 18.16 9.46 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.709 -0.678 . . . . 10.0 112.394 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.6 m -78.98 147.48 32.92 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.911 -0.316 . . . . 10.0 110.166 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 m -105.59 118.54 36.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.133 0.492 . . . . 10.0 111.324 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -105.75 144.36 32.6 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.646 -0.706 . . . . 10.0 109.285 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -104.09 133.7 48.58 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 110.108 -0.33 . . . . 10.0 110.108 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.0 tp -112.59 112.38 23.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.957 0.408 . . . . 10.0 110.908 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.6 t -105.11 136.6 38.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.936 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 71.8 mt . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.654 -179.89 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptt? . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 120.616 0.246 . . . . 10.0 110.449 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -98.97 128.44 45.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.64 -0.255 . . . . 10.0 110.433 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 36.9 pt -117.66 164.04 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.151 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.41 ' O ' ' HA ' ' B' ' 66' ' ' THR . 85.8 m-85 -123.56 121.91 36.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.036 0.446 . . . . 10.0 111.117 -179.199 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 84.4 t -100.5 119.76 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.15 -0.477 . . . . 10.0 109.778 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 10.1 tttp -97.46 127.65 43.6 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.143 0.497 . . . . 10.0 110.769 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.95 156.5 17.97 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.609 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 56.8 mt -64.43 -14.22 55.6 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.881 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.04 10.0 20.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.156 -0.475 . . . . 10.0 111.216 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.17 42.93 49.32 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.665 -0.779 . . . . 10.0 111.276 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 32.4 tttp -120.02 145.0 47.23 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.629 -0.285 . . . . 10.0 110.453 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -125.96 96.49 4.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.01 0.433 . . . . 10.0 110.512 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 53.7 mt -85.89 135.99 23.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.468 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 3.6 m -100.48 122.2 42.81 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.206 -0.294 . . . . 10.0 110.206 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 53.3 mt -115.08 135.97 53.63 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.219 0.533 . . . . 10.0 111.246 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -97.05 101.27 12.8 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.386 -0.825 . . . . 10.0 108.915 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 6.8 m -134.81 175.04 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.152 0.501 . . . . 10.0 111.63 -178.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.494 ' O ' HD12 ' B' ' 56' ' ' LEU . 25.2 mm-40 -127.32 154.27 77.1 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.439 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 53.1 Cg_exo -54.64 -27.92 53.6 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.739 2.293 . . . . 10.0 113.01 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.37 -12.59 60.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.103 -0.498 . . . . 10.0 112.02 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -75.28 152.55 38.23 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.898 0.38 . . . . 10.0 110.325 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.492 ' O ' HG23 ' B' ' 26' ' ' VAL . 18.1 p -96.73 152.04 19.06 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.159 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 41.7 mm -55.55 -40.03 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.43 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -58.96 -43.12 91.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.609 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -71.28 -24.71 62.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.587 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.492 HG23 ' O ' ' B' ' 22' ' ' THR . 94.6 t -72.7 -43.55 61.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 178.225 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.421 ' HD2' ' HB2' ' B' ' 41' ' ' GLN . 49.3 mtmt -62.91 -34.05 76.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.506 179.217 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.16 -33.87 75.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.672 179.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -69.82 -36.8 75.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.937 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 56.8 mt -69.38 -32.64 54.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 109.284 -0.635 . . . . 10.0 109.284 178.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.416 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 53.0 tt0 -69.22 -32.35 71.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.509 -0.769 . . . . 10.0 109.977 178.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -74.27 -40.54 62.25 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.562 179.141 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -73.47 -62.41 1.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.95 -0.568 . . . . 10.0 112.461 -179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -83.41 -46.37 12.61 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.261 0.467 . . . . 10.0 112.261 -178.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 108.98 9.48 26.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.468 -0.872 . . . . 10.0 112.169 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.0 mt -84.11 126.08 70.89 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 110.471 -0.196 . . . . 10.0 110.471 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 52.2 Cg_exo -54.71 139.31 77.1 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.791 2.328 . . . . 10.0 112.115 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 24.3 Cg_exo -61.73 -17.2 53.45 Favored 'Trans proline' 0 CA--C 1.533 0.436 0 C-N-CA 122.773 2.316 . . . . 10.0 112.758 -179.185 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -69.96 -33.22 71.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.1 0.476 . . . . 10.0 110.68 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -92.39 -4.34 53.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.689 -0.687 . . . . 10.0 110.68 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.421 ' HB2' ' HD2' ' B' ' 27' ' ' LYS . 68.2 mt-30 -87.47 103.38 15.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.425 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -107.76 100.5 9.87 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.566 -0.531 . . . . 10.0 109.566 178.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 75.5 mt -86.99 124.47 33.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.043 0.449 . . . . 10.0 111.281 -179.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mp -118.37 134.43 61.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.646 -0.706 . . . . 10.0 109.955 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.663 ' HB3' HD21 ' B' ' 50' ' ' LEU . 59.9 t80 -131.45 126.33 34.78 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.085 -0.507 . . . . 10.0 109.71 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.31 23.45 13.68 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.745 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.93 9.41 67.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.854 -0.688 . . . . 10.0 113.057 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -125.31 143.63 50.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.666 0.233 . . . . 10.0 110.389 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -80.4 145.13 32.14 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.85 0.357 . . . . 10.0 110.838 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.663 HD21 ' HB3' ' B' ' 45' ' ' PHE . 13.4 mt -98.63 143.09 29.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.069 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.402 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 34.4 mt-10 -91.86 148.28 22.34 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.01 -0.367 . . . . 10.0 110.01 179.55 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.38 -50.83 72.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.057 -0.52 . . . . 10.0 112.053 -179.18 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.17 54.0 4.82 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 121.179 -0.534 . . . . 10.0 113.392 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.402 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 37.1 mmt180 -141.61 158.86 43.3 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 179.419 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.448 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 76.5 p -99.77 163.51 12.44 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.72 -0.474 . . . . 10.0 109.72 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.494 HD12 ' O ' ' B' ' 18' ' ' GLU . 89.4 mt -64.5 -32.12 73.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.1 0.476 . . . . 10.0 110.149 179.431 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.65 -23.79 63.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.791 -0.64 . . . . 10.0 111.361 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' B' ' 55' ' ' THR . 3.8 m-20 -62.27 -38.3 88.78 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.967 0.413 . . . . 10.0 111.551 -179.454 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -99.12 12.88 34.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.726 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 59.87 36.3 21.87 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.064 0.459 . . . . 10.0 110.913 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 81.7 mt -77.26 124.39 35.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.402 -0.592 . . . . 10.0 109.402 179.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -113.2 -170.79 1.75 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.27 0.557 . . . . 10.0 111.722 -178.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 44.9 pttt -68.97 145.18 53.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.391 -0.822 . . . . 10.0 110.753 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 63.15 14.98 8.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.584 -0.734 . . . . 10.0 112.976 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 73.1 m -78.25 144.96 35.74 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 4.5 m -94.18 126.63 39.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.292 0.568 . . . . 10.0 112.286 -178.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 mp -107.44 115.89 30.96 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.673 -0.862 . . . . 10.0 108.673 178.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.5 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 42.7 m80 -79.39 120.63 24.09 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.722 0.296 . . . . 10.0 110.732 -179.164 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 54.4 tp -98.99 105.39 17.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.889 0.376 . . . . 10.0 110.586 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.445 HG13 ' HB ' ' D' ' 490' ' ' THR . 93.6 t -92.63 131.88 38.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.134 179.155 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 46.0 mt -97.01 109.99 22.63 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.111 -0.329 . . . . 10.0 110.111 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.42 ' HA ' ' CG ' ' D' ' 491' ' ' ASP . 12.9 ttm180 . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.382 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.926 0.393 . . . . 10.0 111.332 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -68.52 -34.52 76.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 10.0 110.904 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 74.7 mt -63.31 -46.86 84.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.033 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 -63.68 -40.28 96.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.055 -0.521 . . . . 10.0 110.724 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.27 -45.89 91.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.847 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 71.6 mtm -66.24 -35.73 81.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.649 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.92 -34.23 77.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.486 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 61.4 t60 -60.62 -37.81 82.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.079 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -63.66 -34.55 78.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.655 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 72.1 mt -74.74 -33.03 29.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.32 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -65.59 -22.0 66.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.999 0.428 . . . . 10.0 110.329 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -77.39 -20.81 54.12 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.969 -0.559 . . . . 10.0 109.893 178.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 467' ' ' MET . . . . . 0.5 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 35.2 mmm -96.8 -48.04 5.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.534 -0.757 . . . . 10.0 110.083 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 468' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -124.57 91.87 48.81 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.761 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -85.96 20.21 1.27 Allowed 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.424 2.082 . . . . 10.0 112.039 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -118.76 18.95 13.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.2 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 471' ' ' VAL . . . . . . . . . . . . . 7.5 p -126.75 128.71 24.21 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 109.965 -0.384 . . . . 10.0 109.965 179.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 472' ' ' PRO . . . . . 0.463 ' HB3' ' CE1' ' D' ' 474' ' ' HIS . 52.2 Cg_exo -53.97 127.12 24.34 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 122.823 2.349 . . . . 10.0 113.128 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -51.23 -44.84 61.76 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.414 -0.812 . . . . 10.0 112.101 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 474' ' ' HIS . . . . . 0.463 ' CE1' ' HB3' ' D' ' 472' ' ' PRO . 26.9 p-80 -63.22 -30.28 71.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.816 -179.103 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 475' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' D' ' 475' ' ' LEU . 28.9 mt -78.58 -33.28 47.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.678 0.275 . . . . 10.0 110.289 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 476' ' ' VAL . . . . . 0.416 HG23 ' O ' ' D' ' 472' ' ' PRO . 59.9 t -63.83 -42.43 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.285 0.564 . . . . 10.0 109.505 178.663 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 57.3 mt -61.89 -24.8 67.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.357 -0.838 . . . . 10.0 111.504 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -63.76 -46.65 84.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.48 -0.327 . . . . 10.0 111.008 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 479' ' ' ASP . . . . . 0.527 ' HB2' HD11 ' D' ' 498' ' ' ILE . 13.0 t70 -70.15 -30.89 68.15 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.729 -0.471 . . . . 10.0 109.729 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -64.92 -25.01 67.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.28 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -91.42 -1.09 57.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.975 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.14 -58.38 2.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.624 -0.716 . . . . 10.0 110.949 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 483' ' ' THR . . . . . 0.406 ' O ' ' HB2' ' D' ' 484' ' ' ARG . 82.7 p -90.93 -36.41 14.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.864 0.364 . . . . 10.0 111.173 -179.295 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 484' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' D' ' 483' ' ' THR . 8.1 mpt_? 68.93 22.87 6.91 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.315 -179.136 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.84 116.06 7.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.282 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 29.3 m -55.81 -25.76 19.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.948 -0.569 . . . . 10.0 112.505 -178.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -60.1 -58.77 7.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 6.6 mt -70.19 -24.52 26.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.128 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 489' ' ' THR . . . . . 0.526 HG23 ' HB3' ' D' ' 479' ' ' ASP . 93.3 m -63.79 -55.96 19.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.97 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 490' ' ' THR . . . . . 0.445 ' HB ' HG13 ' B' ' 70' ' ' VAL . 1.5 m -61.6 -32.19 72.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.341 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 491' ' ' ASP . . . . . 0.42 ' CG ' ' HA ' ' B' ' 72' ' ' ARG . 35.4 t0 -67.78 -49.66 61.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.218 -0.901 . . . . 10.0 109.494 178.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -57.85 -36.57 72.5 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.832 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 493' ' ' ILE . . . . . 0.435 HG13 ' O ' ' D' ' 489' ' ' THR . 88.2 mt -62.41 -44.91 99.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 121.101 0.477 . . . . 10.0 110.019 179.054 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.12 -29.33 68.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.865 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -73.66 -41.18 63.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.98 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 126.65 25.43 1.26 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.394 -0.908 . . . . 10.0 112.9 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -74.36 -64.94 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.562 -0.533 . . . . 10.0 109.562 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 498' ' ' ILE . . . . . 0.527 HD11 ' HB2' ' D' ' 479' ' ' ASP . 4.4 mp -78.74 125.31 38.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.405 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 . . . . . 0 C--N 1.328 -0.368 0 CA-C-O 120.971 0.415 . . . . 10.0 110.638 -179.534 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.456 ' HB2' ' HB3' ' A' ' 63' ' ' LYS . 26.6 ptt? . . . . . 0 N--CA 1.477 0.91 0 N-CA-C 110.251 -0.277 . . . . 10.0 110.251 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -108.0 146.56 32.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.913 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.1 pt -132.19 162.75 39.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.021 178.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.456 ' O ' ' HA ' ' A' ' 66' ' ' THR . 86.5 m-85 -118.02 107.41 14.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.752 0.311 . . . . 10.0 110.903 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 13' ' ' ILE . 50.0 t -96.94 117.19 41.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.844 -0.428 . . . . 10.0 109.844 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 17.8 mttp -103.09 121.74 43.22 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.288 0.566 . . . . 10.0 111.603 -179.025 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.65 162.93 16.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.5 -0.773 . . . . 10.0 110.393 179.402 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.416 HD11 HG13 ' A' ' 70' ' ' VAL . 65.8 mt -57.27 -28.91 63.4 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.774 0.321 . . . . 10.0 111.853 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.56 4.12 12.01 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.185 0.439 . . . . 10.0 112.185 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.08 40.31 25.17 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.69 -0.767 . . . . 10.0 111.805 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 44.5 tttp -113.04 125.23 54.16 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.904 -0.148 . . . . 10.0 110.707 -179.644 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.4 m -100.86 111.61 23.87 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.926 0.393 . . . . 10.0 110.2 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 5' ' ' VAL . 0.7 OUTLIER -99.57 123.6 52.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.87 -179.512 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.28 110.11 20.92 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.756 -0.461 . . . . 10.0 109.756 178.614 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.461 HD11 HG12 ' A' ' 30' ' ' ILE . 83.1 mt -115.53 143.9 44.65 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.089 0.471 . . . . 10.0 111.694 -178.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -95.02 121.86 37.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.381 -0.827 . . . . 10.0 109.445 179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.5 m -143.84 -179.31 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.918 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -141.88 155.17 66.06 Favored Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 108.565 -0.902 . . . . 10.0 108.565 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.06 -32.57 69.72 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.339 2.026 . . . . 10.0 112.927 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.46 7.23 20.45 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.204 0.446 . . . . 10.0 112.204 -179.45 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -85.61 139.89 31.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.752 0.31 . . . . 10.0 110.252 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.51 144.45 31.32 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.743 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.7 mm -56.87 -39.47 65.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.109 0.48 . . . . 10.0 110.056 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -56.73 -38.61 72.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.266 -0.879 . . . . 10.0 110.66 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -67.78 -37.23 81.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.022 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.407 ' O ' HG13 ' A' ' 30' ' ' ILE . 40.3 t -63.67 -39.76 86.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.911 -0.586 . . . . 10.0 109.854 179.307 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -60.44 -40.19 90.22 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.433 0.635 . . . . 10.0 109.969 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.11 -35.67 80.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.421 -0.808 . . . . 10.0 110.558 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.01 -36.84 85.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.165 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.461 HG12 HD11 ' A' ' 15' ' ' LEU . 59.5 mt -73.15 -32.8 40.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 121.433 0.635 . . . . 10.0 109.77 178.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -64.28 -39.51 94.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.379 -0.828 . . . . 10.0 110.629 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -72.96 -15.54 61.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.04 0.448 . . . . 10.0 111.014 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -87.66 -69.99 0.65 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.206 0.447 . . . . 10.0 112.206 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -94.06 -6.9 44.11 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.695 0.628 . . . . 10.0 112.695 -177.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.33 28.63 59.6 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.362 -0.923 . . . . 10.0 112.126 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.7 mt -93.9 122.38 62.19 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 110.309 -0.256 . . . . 10.0 110.309 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 42.7 Cg_exo -56.37 131.1 43.69 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.478 2.119 . . . . 10.0 111.901 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 51.5 Cg_exo -54.86 -33.3 81.2 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 123.168 2.579 . . . . 10.0 113.174 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -67.02 -20.33 65.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.186 0.517 . . . . 10.0 111.066 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -103.06 8.82 38.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.935 0.398 . . . . 10.0 110.614 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -101.24 129.43 47.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.112 -0.494 . . . . 10.0 110.75 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.445 ' HB3' ' HB ' ' A' ' 70' ' ' VAL . 32.8 ttt180 -126.51 98.38 5.39 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.661 -0.496 . . . . 10.0 109.661 178.34 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 65.9 mt -87.32 131.14 34.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.88 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 74.9 mt -125.43 133.71 68.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.526 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.405 ' HB3' HD21 ' A' ' 50' ' ' LEU . 80.7 t80 -126.93 115.88 19.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.106 -0.497 . . . . 10.0 109.846 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.18 23.46 13.66 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.861 -0.609 . . . . 10.0 112.215 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.21 -4.13 64.67 Favored Glycine 0 CA--C 1.517 0.199 0 C-N-CA 120.779 -0.724 . . . . 10.0 112.868 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -105.66 138.98 40.95 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.969 -0.382 . . . . 10.0 109.969 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -82.18 141.06 33.36 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.232 -0.284 . . . . 10.0 110.232 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.405 HD21 ' HB3' ' A' ' 45' ' ' PHE . 21.4 mt -93.3 128.67 39.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.608 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -88.71 144.84 26.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.458 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -63.95 -27.28 69.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.405 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.77 33.56 4.77 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.624 -0.798 . . . . 10.0 112.97 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.8 mmt-85 -132.7 162.29 31.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.816 0.308 . . . . 10.0 110.328 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.652 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 0.2 OUTLIER -98.34 164.57 12.24 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 179.491 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 23.1 mt -64.46 -39.04 93.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.916 0.388 . . . . 10.0 111.305 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 p -69.05 -16.09 63.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.041 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.652 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.0 OUTLIER -62.83 -31.66 72.71 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.093 0.473 . . . . 10.0 110.726 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -107.68 16.53 23.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.996 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.9 t30 62.66 26.27 15.57 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.231 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.6 mt -76.47 113.22 15.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.064 0.459 . . . . 10.0 110.244 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -108.68 -160.6 0.73 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.732 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.456 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 17.3 pttp -76.15 148.16 38.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.974 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 60.76 43.26 12.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.767 -0.651 . . . . 10.0 111.537 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.1 m -106.1 143.23 34.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.506 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 18.4 m -98.4 125.57 43.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.007 0.432 . . . . 10.0 111.203 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 mp -115.05 145.73 42.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.596 -0.729 . . . . 10.0 109.479 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -98.56 134.39 41.58 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.562 0.22 . . . . 10.0 110.467 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.8 tp -116.17 105.26 12.38 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.003 0.43 . . . . 10.0 110.832 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.445 ' HB ' ' HB3' ' A' ' 42' ' ' ARG . 42.2 t -97.05 133.32 39.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.728 179.329 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 66.4 mt . . . . . 0 C--N 1.325 -0.499 0 CA-C-O 120.793 0.33 . . . . 10.0 111.091 -179.543 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.486 1.342 0 N-CA-C 109.886 -0.413 . . . . 10.0 109.886 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -119.15 152.09 37.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.03 0.443 . . . . 10.0 111.505 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 19.3 pt -130.62 162.03 39.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.533 -0.758 . . . . 10.0 110.064 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.49 ' O ' ' HA ' ' B' ' 66' ' ' THR . 80.1 m-85 -107.71 117.01 32.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.74 0.305 . . . . 10.0 110.908 -179.296 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 46.7 t -99.57 118.51 46.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.803 -0.443 . . . . 10.0 109.803 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -102.59 132.95 48.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.026 0.441 . . . . 10.0 111.049 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.89 154.23 22.42 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.552 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 61.7 mt -61.51 -20.22 62.96 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.764 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.51 4.14 22.32 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.597 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.12 46.43 10.33 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.717 -0.754 . . . . 10.0 111.436 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 13.4 tttp -126.18 141.15 52.05 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.081 -0.34 . . . . 10.0 110.081 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.6 m -125.44 115.47 20.32 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.329 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 22.2 mt -113.25 132.65 61.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.527 -0.306 . . . . 10.0 110.798 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.25 122.61 41.62 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.821 0.344 . . . . 10.0 110.178 178.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 66.0 mt -119.93 146.39 45.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.427 -0.351 . . . . 10.0 111.54 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -86.49 120.38 27.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.863 -0.608 . . . . 10.0 109.464 178.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 14.6 m -134.48 174.4 13.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.013 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.402 ' H ' ' HB2' ' B' ' 21' ' ' ASP . 6.5 mm-40 -130.81 160.04 68.41 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.273 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -62.44 -22.66 74.35 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.252 1.968 . . . . 10.0 112.006 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.67 9.95 42.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.939 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.402 ' HB2' ' H ' ' B' ' 18' ' ' GLU . 15.5 t0 -77.11 141.1 40.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.005 0.431 . . . . 10.0 110.723 -179.591 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 16.3 m -94.87 144.52 25.59 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.646 -0.706 . . . . 10.0 110.704 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.546 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 45.5 mm -53.88 -41.49 49.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.455 -0.339 . . . . 10.0 110.698 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -57.39 -39.72 76.7 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.647 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -67.44 -37.18 82.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.114 -0.494 . . . . 10.0 109.68 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 67.1 t -64.1 -39.19 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.87 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' B' ' 23' ' ' ILE . 9.9 mmmm -60.0 -41.39 91.98 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.838 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.66 -35.96 82.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.298 -0.864 . . . . 10.0 110.787 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.12 -46.25 84.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.344 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 61.8 mt -64.44 -36.92 78.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-O 121.294 0.569 . . . . 10.0 110.161 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -61.97 -38.25 87.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.751 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -77.19 -16.03 59.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.463 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -93.62 -62.26 1.39 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.909 0.337 . . . . 10.0 111.909 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -87.93 -21.22 25.04 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.648 0.61 . . . . 10.0 112.648 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.24 37.29 15.41 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.296 -0.954 . . . . 10.0 112.56 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.4 mt -114.33 126.32 28.13 Favored Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 109.967 -0.383 . . . . 10.0 109.967 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.517 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 50.2 Cg_exo -53.42 139.55 64.94 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.819 2.346 . . . . 10.0 112.568 179.461 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.517 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 16.7 Cg_exo -67.37 -5.75 14.71 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.295 2.663 . . . . 10.0 113.725 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -78.82 -43.43 25.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.059 0.457 . . . . 10.0 110.933 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.425 ' OE1' ' HB2' ' B' ' 37' ' ' PRO . 22.8 mp0 -82.53 -7.1 59.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.981 -0.554 . . . . 10.0 111.076 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -81.11 109.71 15.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.019 -0.537 . . . . 10.0 112.231 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -107.63 108.19 19.34 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.73 -0.841 . . . . 10.0 108.73 177.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 42.0 mt -90.31 119.36 30.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.904 0.383 . . . . 10.0 111.27 -178.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mp -116.33 142.2 30.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.901 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -134.38 108.86 8.41 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.297 -0.411 . . . . 10.0 110.09 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.65 19.34 11.27 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.852 -0.613 . . . . 10.0 112.205 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.28 -14.64 33.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.697 -0.763 . . . . 10.0 113.167 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -104.91 138.31 41.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.674 0.237 . . . . 10.0 110.369 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.409 HE21 ' HB3' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -81.58 144.21 31.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.8 0.333 . . . . 10.0 110.436 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 23.4 mt -95.12 126.68 40.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.957 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.528 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 17.6 mt-10 -73.71 138.25 44.54 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.878 -0.786 . . . . 10.0 108.878 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.32 -42.0 81.03 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.399 0.518 . . . . 10.0 112.399 -178.235 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.52 47.09 3.75 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.616 -0.802 . . . . 10.0 113.804 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.528 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 28.6 mmt180 -132.51 165.31 24.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.845 0.355 . . . . 10.0 110.353 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.4 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 1.8 m -97.74 156.73 16.43 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.925 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 55.0 mt -59.99 -48.25 82.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.987 0.422 . . . . 10.0 110.935 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.0 m -70.33 -7.93 46.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.588 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' B' ' 55' ' ' THR . 0.5 OUTLIER -69.81 -33.5 72.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.232 0.539 . . . . 10.0 109.569 179.324 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -100.17 14.7 29.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.444 -0.798 . . . . 10.0 110.396 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 65.52 24.28 11.82 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.466 -0.788 . . . . 10.0 111.4 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 86.4 mt -71.08 123.43 25.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.057 0.456 . . . . 10.0 109.813 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -110.75 -167.03 1.13 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.273 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -74.31 151.99 39.71 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.587 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 64.02 15.61 9.34 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.558 0.577 . . . . 10.0 112.558 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 40.0 m -75.32 146.24 41.12 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.071 -0.344 . . . . 10.0 110.071 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.49 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 4.5 m -99.44 117.36 33.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.074 0.464 . . . . 10.0 111.339 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.5 mp -99.71 128.84 45.8 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.628 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.432 ' CE1' ' HA ' ' D' ' 467' ' ' MET . 95.1 m-70 -89.91 114.31 26.08 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.485 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.0 tp -96.83 108.03 20.63 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.911 0.386 . . . . 10.0 110.654 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 90.2 t -102.22 128.08 55.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.218 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 79.8 mt -104.56 125.51 50.77 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 CA-C-O 121.206 0.526 . . . . 10.0 111.481 -179.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 120.986 0.422 . . . . 10.0 110.75 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -67.95 -37.56 81.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.517 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 57.6 mt -66.32 -41.95 88.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.689 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -64.75 -40.17 94.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.068 0.461 . . . . 10.0 110.47 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -67.4 -42.35 83.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.622 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 37.1 mtm -65.65 -39.55 91.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.9 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.87 -37.64 85.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.742 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 462' ' ' HIS . . . . . 0.474 ' O ' ' HG3' ' D' ' 466' ' ' GLU . 69.0 t60 -58.25 -44.4 88.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.107 179.238 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 463' ' ' GLN . . . . . 0.485 ' O ' ' HG2' ' D' ' 467' ' ' MET . 26.4 tp60 -60.06 -40.58 89.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.657 -0.701 . . . . 10.0 110.883 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 464' ' ' ILE . . . . . 0.463 HD11 ' HA ' ' D' ' 486' ' ' VAL . 69.7 mt -72.4 -40.02 63.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.075 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 43.0 tp60 -59.43 -28.17 66.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.755 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 466' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' D' ' 462' ' ' HIS . 22.3 mt-10 -76.3 -21.27 56.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.663 179.442 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 467' ' ' MET . . . . . 0.485 ' HG2' ' O ' ' D' ' 463' ' ' GLN . 34.9 mmm -89.41 -33.46 16.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.443 0.639 . . . . 10.0 109.754 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 468' ' ' PHE . . . . . 0.416 ' O ' HG12 ' D' ' 471' ' ' VAL . 4.6 m-85 -128.37 85.11 61.27 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.627 -0.715 . . . . 10.0 110.741 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -82.76 31.24 0.52 Allowed 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.72 2.28 . . . . 10.0 112.397 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -135.15 14.45 3.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.083 -179.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 471' ' ' VAL . . . . . 0.416 HG12 ' O ' ' D' ' 468' ' ' PHE . 10.5 p -121.17 132.42 24.22 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.351 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 472' ' ' PRO . . . . . 0.456 ' HB3' ' CE1' ' D' ' 474' ' ' HIS . 58.1 Cg_exo -53.16 120.71 8.15 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.687 2.258 . . . . 10.0 112.432 179.177 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -54.8 -37.5 66.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.332 -0.849 . . . . 10.0 112.614 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 474' ' ' HIS . . . . . 0.456 ' CE1' ' HB3' ' D' ' 472' ' ' PRO . 49.5 p-80 -65.7 -27.82 68.62 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 121.051 -0.26 . . . . 10.0 111.491 -179.241 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 74.6 mt -79.08 -32.52 44.73 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.923 -0.399 . . . . 10.0 109.923 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 51.6 t -64.66 -42.73 95.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.466 0.651 . . . . 10.0 109.487 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 47.1 mt -63.79 -25.88 68.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.764 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -69.04 -47.1 66.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.344 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -67.44 -32.58 73.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.344 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.29 -24.33 66.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.714 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -95.91 3.46 53.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.462 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -112.62 -54.81 2.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.238 -179.461 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 67.3 p -92.79 -39.92 10.96 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.836 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 65.35 35.86 7.27 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.449 -0.796 . . . . 10.0 111.354 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 1.7 t -147.79 123.4 10.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.997 -0.547 . . . . 10.0 109.828 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 486' ' ' VAL . . . . . 0.463 ' HA ' HD11 ' D' ' 464' ' ' ILE . 15.6 m -60.61 -32.98 52.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.975 0.417 . . . . 10.0 111.124 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -68.03 -47.93 67.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.664 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 488' ' ' ILE . . . . . 0.42 ' O ' ' HB2' ' D' ' 492' ' ' ASN . 61.2 mt -71.99 -43.52 67.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.762 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 52.0 m -54.88 -51.98 64.27 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.109 0.411 . . . . 10.0 112.109 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 4.2 m -60.74 -41.93 96.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.601 -178.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -70.89 -36.91 72.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.963 0.411 . . . . 10.0 110.49 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 492' ' ' ASN . . . . . 0.443 ' ND2' ' HG2' ' D' ' 497' ' ' ARG . 5.3 t30 -56.1 -41.96 76.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.659 -0.7 . . . . 10.0 109.463 178.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 75.1 mt -67.12 -40.71 85.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.723 -0.672 . . . . 10.0 110.03 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -37.36 85.11 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.97 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -71.75 -21.12 61.79 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.136 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 101.94 26.93 7.25 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.7 -0.762 . . . . 10.0 112.939 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 497' ' ' ARG . . . . . 0.443 ' HG2' ' ND2' ' D' ' 492' ' ' ASN . 17.1 tpp180 -72.69 -43.0 63.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.31 0.576 . . . . 10.0 109.891 179.015 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 2.6 mp -96.14 130.93 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-N 115.221 -0.9 . . . . 10.0 108.94 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 . . . . . 0 C--N 1.326 -0.453 0 CA-C-O 121.051 0.453 . . . . 10.0 111.329 -179.71 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 110.178 -0.304 . . . . 10.0 110.178 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -108.55 144.6 36.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.796 0.332 . . . . 10.0 111.322 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.4 pt -130.72 162.37 38.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.857 -0.611 . . . . 10.0 109.446 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -117.34 109.95 17.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.675 0.274 . . . . 10.0 110.723 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 49.4 t -98.14 116.67 41.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.002 0.429 . . . . 10.0 110.02 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -99.5 125.99 45.35 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.011 0.434 . . . . 10.0 111.222 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.567 HG22 HD23 ' A' ' 69' ' ' LEU . 21.5 p -93.08 149.12 21.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.253 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.6 mt -65.74 -13.65 59.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 10.0 111.055 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.63 -24.89 58.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.751 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.7 44.28 1.15 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.75 -0.738 . . . . 10.0 112.789 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -142.47 138.13 30.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.778 0.323 . . . . 10.0 111.074 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.9 123.91 45.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.106 -0.497 . . . . 10.0 109.968 178.72 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.4 mt -105.8 134.98 45.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.993 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.28 128.61 45.42 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.625 178.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.6 mt -131.85 134.7 46.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.015 0.435 . . . . 10.0 111.719 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.3 102.29 14.96 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.461 -0.94 . . . . 10.0 108.461 178.105 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.9 m -127.32 -179.31 2.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.151 -0.477 . . . . 10.0 111.023 -178.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.491 ' O ' HD12 ' A' ' 56' ' ' LEU . 8.3 mm-40 -143.23 161.03 49.91 Favored Pre-proline 0 C--N 1.321 -0.657 0 N-CA-C 108.996 -0.742 . . . . 10.0 108.996 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -56.04 -26.18 58.04 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.342 2.028 . . . . 10.0 112.927 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -88.8 8.04 31.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.758 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -85.53 140.49 30.6 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.962 -0.384 . . . . 10.0 109.962 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.481 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.8 p -94.11 152.05 19.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.653 -179.403 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.6 mm -58.51 -35.6 55.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.002 0.43 . . . . 10.0 110.026 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -41.84 98.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.19 178.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -69.65 -37.81 76.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.433 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 22' ' ' THR . 95.5 t -63.23 -39.34 84.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.889 178.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.408 ' HB3' ' HB3' ' A' ' 38' ' ' PRO . 80.9 mttt -60.25 -41.96 94.3 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.763 179.185 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.62 -34.34 76.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.394 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -68.38 -36.24 78.88 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.329 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 68.1 mt -70.04 -35.48 64.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.43 -0.582 . . . . 10.0 109.43 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.502 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 22.0 tt0 -69.32 -26.4 64.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.592 -0.731 . . . . 10.0 109.845 179.003 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -77.17 -38.99 50.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.567 -0.742 . . . . 10.0 111.167 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -87.02 -57.79 2.83 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.751 0.648 . . . . 10.0 112.751 -178.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -86.55 -23.36 25.86 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.274 0.472 . . . . 10.0 112.274 -177.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.502 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 82.12 15.05 75.62 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.355 -0.926 . . . . 10.0 113.1 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.0 mt -85.54 123.15 73.11 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 110.304 -0.258 . . . . 10.0 110.304 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -55.73 131.43 46.05 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.683 2.255 . . . . 10.0 112.239 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.408 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 50.0 Cg_exo -55.74 -26.31 55.86 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 123.09 2.527 . . . . 10.0 112.489 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -69.04 -18.89 64.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.563 -0.744 . . . . 10.0 111.333 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -109.21 5.35 23.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.546 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -93.84 126.64 39.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.884 -179.011 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.5 mtt180 -127.41 102.0 6.7 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.957 -0.757 . . . . 10.0 108.957 177.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.0 mt -90.15 124.2 34.63 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.603 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mp -116.77 128.84 74.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.67 -0.695 . . . . 10.0 109.644 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.573 ' HB3' HD21 ' A' ' 50' ' ' LEU . 70.2 t80 -124.19 116.45 22.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.173 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.7 18.09 9.3 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.754 -0.657 . . . . 10.0 112.072 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.26 -11.02 51.3 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.813 -0.708 . . . . 10.0 112.89 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -102.07 136.98 40.95 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.079 -0.341 . . . . 10.0 110.079 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -80.94 131.98 35.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.032 0.444 . . . . 10.0 110.582 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.573 HD21 ' HB3' ' A' ' 45' ' ' PHE . 21.9 mt -86.26 125.48 33.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.737 -179.541 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.508 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 41.8 mt-10 -83.52 150.69 25.82 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.887 -0.412 . . . . 10.0 109.887 179.018 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.53 -41.91 91.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.432 -0.349 . . . . 10.0 111.606 -179.228 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.8 45.12 3.46 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.929 -0.653 . . . . 10.0 113.124 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.508 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 21.8 mmt180 -133.3 159.21 40.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.719 0.295 . . . . 10.0 110.257 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.411 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -104.55 157.9 16.85 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.906 179.247 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.491 HD12 ' O ' ' A' ' 18' ' ' GLU . 61.7 mt -62.52 -33.82 75.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.025 0.441 . . . . 10.0 111.079 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.73 -24.55 62.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.099 -0.501 . . . . 10.0 111.064 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 55' ' ' THR . 31.2 m-20 -62.69 -31.73 72.68 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.19 -179.486 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -104.33 10.33 35.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.618 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 59.18 41.44 20.29 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.793 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 77.3 mt -85.18 112.93 22.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.118 -0.492 . . . . 10.0 109.803 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -100.65 -166.98 1.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.243 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -76.92 151.12 35.87 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.837 0.351 . . . . 10.0 110.982 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 68.76 19.8 8.32 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.589 -0.732 . . . . 10.0 111.692 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.9 m -86.75 147.93 25.64 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.981 -0.378 . . . . 10.0 109.981 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.9 m -101.95 131.1 48.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.026 0.441 . . . . 10.0 111.511 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -115.79 139.28 50.32 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.934 -0.765 . . . . 10.0 108.934 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -99.98 126.71 46.19 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.765 0.316 . . . . 10.0 110.478 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.567 HD23 HG22 ' A' ' 7' ' ' THR . 43.5 tp -105.83 110.41 22.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.326 0.584 . . . . 10.0 110.607 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.4 t -100.53 132.96 45.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.428 -0.806 . . . . 10.0 110.019 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 78.0 mt . . . . . 0 C--N 1.328 -0.334 0 N-CA-C 109.856 -0.424 . . . . 10.0 109.856 179.642 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.451 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 26.1 ptt? . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 110.091 -0.337 . . . . 10.0 110.091 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -102.81 139.02 38.94 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.38 -0.373 . . . . 10.0 111.437 -178.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 23.4 pt -124.94 164.17 24.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.403 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.467 ' O ' ' HA ' ' B' ' 66' ' ' THR . 64.2 m-85 -118.95 110.51 17.22 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.972 0.415 . . . . 10.0 110.866 -179.577 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 43.2 t -98.16 121.37 48.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 109.812 -0.44 . . . . 10.0 109.812 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -104.16 135.25 46.0 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.011 0.434 . . . . 10.0 111.097 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.5 p -99.77 169.15 9.45 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.915 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 56.1 mt -76.4 -1.29 26.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.153 0.501 . . . . 10.0 110.349 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.61 -27.93 16.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.482 179.095 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.75 3.12 23.75 Favored Glycine 0 C--N 1.333 0.374 0 C-N-CA 121.043 -0.598 . . . . 10.0 112.189 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 41.7 tttt -86.2 133.45 33.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.618 0.247 . . . . 10.0 110.766 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.2 m -102.27 115.41 30.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.27 -0.423 . . . . 10.0 109.905 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 15.9 mt -99.65 121.23 50.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.264 -0.426 . . . . 10.0 111.366 -179.015 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.39 131.35 36.93 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 178.625 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 56.1 mt -138.45 146.93 42.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.049 0.452 . . . . 10.0 112.032 -178.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -98.18 116.27 30.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.187 -0.915 . . . . 10.0 109.287 178.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.451 ' O ' ' HG2' ' B' ' 1' ' ' MET . 4.6 m -141.06 154.67 21.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.374 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -106.81 151.64 40.61 Favored Pre-proline 0 C--N 1.319 -0.734 0 N-CA-C 109.395 -0.594 . . . . 10.0 109.395 178.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.67 -25.32 41.35 Favored 'Trans proline' 0 CA--C 1.533 0.435 0 C-N-CA 122.809 2.34 . . . . 10.0 113.172 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.81 4.71 48.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.409 -0.36 . . . . 10.0 111.932 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -78.75 151.73 31.9 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.72 0.295 . . . . 10.0 110.388 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.9 m -95.04 143.8 26.22 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.559 -178.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.43 HG12 ' O ' ' B' ' 54' ' ' ARG . 46.8 mm -53.21 -40.74 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 C-N-CA 122.474 0.31 . . . . 10.0 111.347 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -58.8 -35.6 73.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.906 0.384 . . . . 10.0 110.778 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.45 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 65.8 t30 -75.01 -35.29 61.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.049 0.452 . . . . 10.0 110.265 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 58.8 t -62.3 -48.22 89.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.326 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -69.5 -24.83 63.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.543 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.43 -32.14 70.92 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 178.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 95.9 mttt -71.27 -34.4 70.65 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.132 -0.692 . . . . 10.0 109.132 178.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 39.8 mt -70.36 -28.31 34.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 178.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -65.75 -23.45 66.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.491 -0.777 . . . . 10.0 109.949 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -92.51 -44.48 8.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.284 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 38.8 tttt -66.69 -43.12 85.25 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.714 -0.676 . . . . 10.0 111.663 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -101.31 -48.09 4.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.706 0.289 . . . . 10.0 111.184 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.62 -12.99 22.96 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.616 -0.802 . . . . 10.0 111.892 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 33.1 mt -68.26 125.79 91.96 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.565 -0.318 . . . . 10.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.466 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 51.8 Cg_exo -55.87 146.99 64.68 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 122.967 2.445 . . . . 10.0 112.413 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 27.9 Cg_exo -60.99 -24.77 80.31 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.765 2.31 . . . . 10.0 113.023 -179.418 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.22 -23.72 63.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.0 0.429 . . . . 10.0 111.117 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -101.95 6.62 41.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.167 -0.47 . . . . 10.0 111.047 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -103.86 104.63 14.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.615 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.419 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 6.1 ttt180 -103.9 106.53 17.07 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.647 -0.871 . . . . 10.0 108.647 178.214 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 65.5 mt -95.21 127.4 41.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.166 0.508 . . . . 10.0 111.775 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.6 mp -126.35 140.31 49.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.463 -0.79 . . . . 10.0 110.124 179.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.621 ' HB3' HD21 ' B' ' 50' ' ' LEU . 78.4 t80 -132.81 118.7 19.32 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.526 -0.546 . . . . 10.0 109.526 179.106 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.69 32.82 22.58 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.242 0.544 . . . . 10.0 111.186 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.08 -11.38 62.9 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.921 -0.657 . . . . 10.0 112.662 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -92.86 129.22 38.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.698 0.249 . . . . 10.0 110.502 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -75.52 132.56 40.82 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.621 HD21 ' HB3' ' B' ' 45' ' ' PHE . 22.3 mt -89.44 122.75 32.94 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.564 0.221 . . . . 10.0 111.509 -178.65 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.492 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 16.7 mt-10 -74.12 142.71 45.54 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.607 -0.516 . . . . 10.0 109.607 178.431 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.61 -37.12 72.74 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.363 0.505 . . . . 10.0 112.363 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.71 32.64 5.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 10.0 114.616 -177.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.492 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 19.6 mmt180 -123.53 168.04 13.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.837 0.819 . . . . 10.0 109.996 178.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 23.0 p -105.83 174.11 6.02 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.748 0.309 . . . . 10.0 110.454 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 89.9 mt -68.25 -47.72 66.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.973 0.416 . . . . 10.0 111.135 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -61.03 -26.59 67.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.107 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -62.86 -27.44 69.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.521 -0.763 . . . . 10.0 111.386 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -109.65 13.81 23.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.184 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 68.64 21.99 7.72 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 123.757 0.66 . . . . 10.0 111.501 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 59.2 mt -78.09 117.05 22.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.426 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -107.94 -168.04 1.32 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.057 -0.52 . . . . 10.0 109.969 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 56.8 pttt -74.02 153.06 39.85 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.88 -0.328 . . . . 10.0 110.558 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 66.89 14.02 9.66 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.75 0.656 . . . . 10.0 112.404 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 16.1 m -81.97 144.59 30.8 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.989 -0.284 . . . . 10.0 110.276 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 46.6 m -96.03 131.57 42.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.961 0.41 . . . . 10.0 110.927 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 mp -113.2 134.9 54.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.106 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -87.89 122.39 31.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.1 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 38.5 tp -106.64 108.09 19.42 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.022 0.439 . . . . 10.0 110.695 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.419 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 78.3 t -98.75 121.75 49.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.712 -0.677 . . . . 10.0 110.162 179.497 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 55.9 mt -89.61 122.07 32.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.019 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.656 0 CA-C-O 120.985 0.421 . . . . 10.0 111.111 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 121.048 0.452 . . . . 10.0 110.239 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 47.2 mm-40 -67.69 -33.13 74.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.412 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 86.4 mt -66.8 -39.19 87.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.194 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -66.56 -42.4 87.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.935 0.397 . . . . 10.0 109.948 179.026 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -60.74 -41.23 94.95 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.888 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 43.6 mtm -70.68 -41.21 72.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.775 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.42 -42.87 95.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.733 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -61.49 -30.76 70.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.601 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -63.58 -40.85 98.0 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.724 -0.473 . . . . 10.0 109.724 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 52.8 mt -73.83 -40.02 52.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.078 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -60.53 -25.44 66.13 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.796 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -75.84 -33.3 60.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.661 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 35.0 mmm -81.16 -45.05 16.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.687 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 468' ' ' PHE . . . . . 0.473 ' O ' HG12 ' D' ' 471' ' ' VAL . 61.7 m-85 -126.12 99.63 31.13 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.242 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -87.1 -1.21 7.9 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.823 2.349 . . . . 10.0 113.187 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 16.6 pm0 -88.84 1.82 54.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.762 0.315 . . . . 10.0 111.459 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 471' ' ' VAL . . . . . 0.473 HG12 ' O ' ' D' ' 468' ' ' PHE . 13.8 p -103.28 134.7 19.62 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.591 -0.277 . . . . 10.0 110.432 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 472' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' D' ' 471' ' ' VAL . 31.3 Cg_exo -60.92 121.3 9.48 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.364 2.043 . . . . 10.0 111.476 178.504 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -52.98 -38.93 62.62 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.679 -0.691 . . . . 10.0 112.564 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -65.68 -29.78 70.38 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.081 -0.248 . . . . 10.0 111.41 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 475' ' ' LEU . . . . . 0.446 HD13 HG23 ' D' ' 498' ' ' ILE . 35.0 mt -78.19 -27.46 47.94 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.919 -0.4 . . . . 10.0 109.919 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 43.3 t -69.76 -41.79 80.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.032 -0.729 . . . . 10.0 109.032 178.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 80.1 mt -63.91 -30.16 71.27 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.431 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -59.47 -56.47 21.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.944 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 479' ' ' ASP . . . . . 0.505 ' HB3' HG23 ' D' ' 489' ' ' THR . 8.7 t70 -66.49 -30.56 70.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.038 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.5 -31.82 71.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.787 0.327 . . . . 10.0 110.414 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -92.77 5.39 51.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.418 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -113.3 -47.03 3.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.333 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 72.1 p -102.87 -35.95 8.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.644 0.259 . . . . 10.0 111.569 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? 64.96 33.16 10.05 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.151 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 10.3 t -142.88 118.05 10.13 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.876 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 486' ' ' VAL . . . . . 0.412 HG22 ' H ' ' D' ' 486' ' ' VAL . 0.2 OUTLIER -57.44 -34.97 47.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.979 0.419 . . . . 10.0 110.364 179.642 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -62.15 -54.74 36.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.417 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 66.0 mt -63.91 -45.65 96.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.409 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 489' ' ' THR . . . . . 0.505 HG23 ' HB3' ' D' ' 479' ' ' ASP . 93.1 m -56.56 -50.65 71.26 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.095 0.406 . . . . 10.0 112.095 -179.373 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 10.5 m -61.16 -43.22 99.23 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.461 0.172 . . . . 10.0 111.406 -179.147 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -67.67 -42.37 82.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.112 0.482 . . . . 10.0 109.879 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -53.87 -42.5 68.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.385 -0.825 . . . . 10.0 110.854 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 85.5 mt -64.5 -46.07 93.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.626 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -22.2 65.25 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.997 0.427 . . . . 10.0 110.753 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -80.22 -40.13 27.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.097 0.475 . . . . 10.0 110.439 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 130.03 10.91 2.68 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.255 -0.974 . . . . 10.0 113.262 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 -64.36 -40.5 95.97 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.731 0.777 . . . . 10.0 109.042 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 498' ' ' ILE . . . . . 0.446 HG23 HD13 ' D' ' 475' ' ' LEU . 1.7 mp -100.0 125.82 53.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 114.904 -1.044 . . . . 10.0 108.264 178.438 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 . . . . . 0 C--N 1.324 -0.511 0 CA-C-O 120.885 0.374 . . . . 10.0 110.574 -179.304 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 21.6 ptt? . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 109.984 -0.376 . . . . 10.0 109.984 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -98.48 134.77 40.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.51 -0.314 . . . . 10.0 110.827 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.8 pt -123.1 160.06 26.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.13 -0.487 . . . . 10.0 109.889 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -115.44 115.51 26.66 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.85 0.357 . . . . 10.0 111.094 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.3 t -107.42 122.42 61.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.513 -0.551 . . . . 10.0 109.513 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -105.6 139.62 39.93 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.207 0.527 . . . . 10.0 111.345 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.53 -178.25 3.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.551 -0.749 . . . . 10.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 35.0 mt -65.11 -29.0 69.82 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.255 -0.43 . . . . 10.0 111.115 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.19 1.21 25.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.267 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.18 9.49 86.99 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.897 -0.668 . . . . 10.0 111.91 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -77.45 123.38 26.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.693 0.282 . . . . 10.0 110.322 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -95.99 115.88 28.1 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.3 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.5 mp -105.94 123.23 60.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.546 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 m -90.01 130.97 36.13 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.1 mt -129.85 150.69 51.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.808 0.337 . . . . 10.0 110.993 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -101.58 113.08 25.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.681 -0.69 . . . . 10.0 109.724 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.455 ' O ' ' HG2' ' A' ' 1' ' ' MET . 3.2 m -142.02 153.49 18.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.812 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.543 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 65.0 mm-40 -107.88 160.8 25.51 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 108.91 -0.774 . . . . 10.0 108.91 178.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.436 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 50.7 Cg_exo -55.34 -24.55 43.25 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.34 2.027 . . . . 10.0 113.041 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.9 -3.02 59.03 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.788 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.543 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.3 OUTLIER -69.16 130.01 41.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.803 0.335 . . . . 10.0 110.729 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.525 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -79.48 144.64 33.82 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.503 -0.555 . . . . 10.0 109.503 178.906 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.9 mm -54.68 -42.18 59.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.731 0.3 . . . . 10.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -59.15 -40.9 86.99 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.118 0.485 . . . . 10.0 110.207 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -65.72 -38.52 89.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.853 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 22' ' ' THR . 44.3 t -65.09 -42.91 95.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.014 179.156 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -62.9 -35.06 78.82 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.537 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.05 -36.7 84.88 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.985 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -66.25 -34.42 77.96 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.935 179.127 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 55.1 mt -70.49 -34.82 59.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.25 0.547 . . . . 10.0 109.563 178.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -70.44 -35.53 73.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.095 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -72.65 -33.55 66.66 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.764 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -86.25 -61.62 1.7 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.853 -0.612 . . . . 10.0 112.174 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -81.9 -46.12 14.52 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.784 0.291 . . . . 10.0 111.784 -178.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.99 -13.31 17.03 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.443 -0.884 . . . . 10.0 112.548 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 29.1 mt -64.03 123.25 81.44 Favored Pre-proline 0 C--N 1.325 -0.478 0 C-N-CA 121.968 0.107 . . . . 10.0 110.918 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.51 133.1 49.75 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.683 2.255 . . . . 10.0 111.768 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.31 -21.44 52.73 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 123.227 2.618 . . . . 10.0 112.866 -179.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.99 -32.61 73.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.136 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -100.74 3.72 42.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.535 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -86.26 126.57 34.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.927 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -123.62 95.59 4.64 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 178.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 39.8 mt -83.84 123.78 30.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.937 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 81.6 mt -120.19 129.19 75.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.648 -0.706 . . . . 10.0 110.262 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -119.8 111.2 17.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.131 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.58 22.36 12.14 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.684 -0.689 . . . . 10.0 111.742 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.18 -13.14 55.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.873 -0.679 . . . . 10.0 112.521 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -93.29 131.59 38.27 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.547 0.213 . . . . 10.0 110.623 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -82.23 127.86 33.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.429 -0.351 . . . . 10.0 110.206 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.0 mt -83.35 129.16 34.98 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.812 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.478 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 39.8 mt-10 -84.27 164.32 19.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.193 179.26 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -62.27 -57.55 10.98 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.277 -0.419 . . . . 10.0 112.012 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.32 60.85 4.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.848 -0.691 . . . . 10.0 113.844 -178.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.478 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 24.4 mmt180 -138.33 158.33 44.49 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 178.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.552 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 33.2 p -107.17 172.87 6.58 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.697 -0.482 . . . . 10.0 109.697 178.729 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.436 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 20.4 mt -66.93 -33.56 75.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.076 0.465 . . . . 10.0 110.448 179.301 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.3 m -70.14 -16.27 63.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.888 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.552 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.8 OUTLIER -67.87 -21.7 65.15 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.014 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -122.35 13.56 10.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.986 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.8 t30 59.28 37.02 23.76 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.595 0.712 . . . . 10.0 110.897 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.2 mt -76.82 120.94 28.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.136 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -110.37 -161.2 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.452 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -79.74 151.56 30.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.579 -0.282 . . . . 10.0 110.3 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 66.48 22.2 10.7 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.305 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.1 m -77.53 146.8 36.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.856 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 m -109.16 123.21 48.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.026 -0.533 . . . . 10.0 110.642 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mp -114.99 141.99 47.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.308 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -101.6 123.96 46.48 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.172 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.6 tp -103.63 102.42 12.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.072 0.463 . . . . 10.0 110.494 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.7 t -94.12 133.01 36.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.888 -0.597 . . . . 10.0 109.742 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.7 mt . . . . . 0 C--N 1.321 -0.647 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.267 -179.777 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.532 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 22.9 ptt? . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 110.223 -0.288 . . . . 10.0 110.223 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -110.67 140.84 44.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.567 0.222 . . . . 10.0 110.775 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 28.8 pt -134.31 157.88 41.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.433 -0.58 . . . . 10.0 109.433 178.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -114.49 115.55 27.42 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.259 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 52.1 t -99.64 123.86 52.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.618 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 19.5 tttp -102.9 141.85 35.0 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.162 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.6 p -113.48 170.28 8.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.71 0.29 . . . . 10.0 111.225 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 52.0 mt -72.0 -17.56 62.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.293 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.34 -11.49 51.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.038 0.447 . . . . 10.0 110.583 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.65 9.57 59.88 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.903 -0.665 . . . . 10.0 112.6 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -84.91 127.08 34.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.805 0.336 . . . . 10.0 110.719 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -91.11 109.5 20.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.311 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.1 mt -100.38 123.34 53.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.295 -0.412 . . . . 10.0 111.105 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.4 132.91 38.54 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.539 -0.541 . . . . 10.0 109.539 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 27.3 mt -136.54 141.33 43.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.139 0.495 . . . . 10.0 111.748 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -99.21 114.78 27.75 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.299 -0.864 . . . . 10.0 108.821 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.532 ' O ' ' HG2' ' B' ' 1' ' ' MET . 3.9 m -142.5 163.82 17.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.509 -179.029 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.421 ' O ' HD12 ' B' ' 56' ' ' LEU . 65.1 mm-40 -113.21 156.46 42.98 Favored Pre-proline 0 C--N 1.315 -0.914 0 N-CA-C 109.057 -0.72 . . . . 10.0 109.057 178.455 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.41 -38.32 73.58 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.153 1.902 . . . . 10.0 112.521 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.5 m -84.56 6.96 21.67 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.474 0.546 . . . . 10.0 112.474 -178.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -76.54 131.45 38.97 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 179.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.84 143.93 47.65 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.507 -0.315 . . . . 10.0 111.104 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 48.8 mm -57.92 -34.87 49.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.592 -0.521 . . . . 10.0 109.592 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -57.86 -37.64 74.28 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.277 -0.874 . . . . 10.0 110.691 178.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -73.48 -33.08 64.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.717 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 42.7 t -64.23 -39.92 87.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.515 178.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -59.87 -39.41 85.15 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.394 0.616 . . . . 10.0 109.88 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.93 -35.33 78.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.367 -0.833 . . . . 10.0 110.712 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -66.62 -38.09 86.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.154 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 66.5 mt -71.41 -34.4 53.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.952 -0.758 . . . . 10.0 108.952 178.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -66.88 -32.58 73.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.035 -0.984 . . . . 10.0 110.281 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -78.67 -35.75 44.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.159 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -81.68 -67.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.314 0.487 . . . . 10.0 112.314 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -75.31 -33.88 61.22 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.38 0.511 . . . . 10.0 112.38 -177.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.22 37.66 8.18 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.315 -0.945 . . . . 10.0 112.283 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.9 mt -111.69 125.37 30.48 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 109.846 -0.427 . . . . 10.0 109.846 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 50.0 Cg_exo -52.94 136.28 60.05 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.754 2.303 . . . . 10.0 112.458 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 45.5 Cg_exo -56.36 -25.41 56.92 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 123.052 2.501 . . . . 10.0 112.579 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -67.09 -17.67 64.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.391 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -112.0 12.12 20.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.779 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -106.3 125.67 51.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.401 -0.363 . . . . 10.0 111.447 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -129.48 102.22 6.3 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 178.158 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 28.6 mt -85.61 126.88 34.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.81 -178.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -124.39 134.82 65.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.576 -0.738 . . . . 10.0 110.07 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.406 ' HB3' HD21 ' B' ' 50' ' ' LEU . 59.6 t80 -116.88 99.44 7.09 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.863 -0.421 . . . . 10.0 109.863 179.078 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.82 34.97 24.05 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.789 -0.641 . . . . 10.0 111.537 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.51 -11.75 63.15 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.707 -0.759 . . . . 10.0 113.205 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -96.02 120.72 36.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.868 0.334 . . . . 10.0 110.433 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.41 129.97 38.77 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.784 -0.45 . . . . 10.0 109.784 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.406 HD21 ' HB3' ' B' ' 45' ' ' PHE . 11.1 mt -93.35 134.09 35.93 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.535 -179.316 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.496 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 30.3 mt-10 -88.76 143.66 26.77 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.647 -0.501 . . . . 10.0 109.647 178.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.83 -38.33 75.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.707 -179.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.55 34.55 2.91 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.054 -0.593 . . . . 10.0 113.694 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.496 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 19.5 mmt180 -135.86 164.91 26.85 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 179.169 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 64.3 p -105.76 169.54 8.42 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.881 -0.415 . . . . 10.0 109.881 179.032 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.421 HD12 ' O ' ' B' ' 18' ' ' GLU . 71.9 mt -66.35 -36.25 82.4 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.919 0.39 . . . . 10.0 110.711 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.12 -8.7 56.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.709 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' B' ' 55' ' ' THR . 3.3 m-20 -75.74 -25.74 56.82 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.146 0.498 . . . . 10.0 110.401 179.183 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -107.91 20.31 18.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.877 -0.601 . . . . 10.0 112.216 -178.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.6 t30 66.16 26.94 10.51 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.693 0.62 . . . . 10.0 111.67 178.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.3 mt -82.73 137.54 20.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.253 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -122.24 -164.07 1.13 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.203 -0.453 . . . . 10.0 109.97 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 31.2 pttt -80.6 154.84 27.19 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.715 -0.394 . . . . 10.0 110.641 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 64.07 18.89 11.5 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.667 -0.697 . . . . 10.0 112.207 178.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 32.5 m -86.3 145.35 26.96 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.97 0.414 . . . . 10.0 110.793 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 15.7 m -94.78 133.4 38.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.851 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 mp -118.05 153.45 33.69 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.306 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -108.92 126.52 53.16 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.521 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.7 tp -104.5 106.64 17.21 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.084 0.468 . . . . 10.0 110.608 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 79.1 t -87.98 114.62 26.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.439 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 98.1 mt -84.85 119.78 25.71 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.602 -0.518 . . . . 10.0 109.602 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.461 ' HG3' ' OD1' ' D' ' 491' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--N 1.322 -0.605 0 CA-C-O 120.934 0.397 . . . . 10.0 111.233 -178.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.455 -0.208 0 CA-C-O 121.009 0.433 . . . . 10.0 110.397 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -62.38 -45.12 94.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.648 -0.705 . . . . 10.0 110.219 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 80.4 mt -67.07 -40.0 86.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.374 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -64.51 -40.64 96.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.548 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -66.56 -37.24 84.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.955 0.407 . . . . 10.0 110.337 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 62.9 mtt -68.68 -44.2 74.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.048 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.64 -36.51 83.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.591 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -58.74 -41.98 87.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.418 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -62.24 -41.24 98.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.599 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 72.1 mt -67.94 -41.77 85.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.339 -0.392 . . . . 10.0 110.503 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -64.05 -16.41 61.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.444 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -83.02 -19.36 37.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.012 0.434 . . . . 10.0 110.185 179.133 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -102.75 -39.22 7.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.756 179.445 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 468' ' ' PHE . . . . . 0.403 ' O ' HG12 ' D' ' 471' ' ' VAL . 9.5 m-85 -118.36 91.22 40.55 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.879 179.476 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -87.86 6.42 5.02 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.616 2.211 . . . . 10.0 113.267 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 12.6 pm0 -107.31 1.61 23.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.594 0.235 . . . . 10.0 111.336 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 471' ' ' VAL . . . . . 0.403 HG12 ' O ' ' D' ' 468' ' ' PHE . 13.4 p -100.85 131.03 24.01 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.655 -0.248 . . . . 10.0 110.686 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 472' ' ' PRO . . . . . 0.411 ' O ' HG23 ' D' ' 476' ' ' VAL . 47.9 Cg_exo -57.71 124.92 17.17 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.752 2.302 . . . . 10.0 112.558 179.079 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -55.68 -39.26 70.73 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.56 -0.745 . . . . 10.0 112.345 -178.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 51.9 p-80 -63.88 -29.68 70.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.646 0.26 . . . . 10.0 111.069 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 46.0 mt -77.86 -35.54 50.88 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.876 -0.416 . . . . 10.0 109.876 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 476' ' ' VAL . . . . . 0.411 HG23 ' O ' ' D' ' 472' ' ' PRO . 26.5 t -63.78 -47.59 90.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.999 -0.546 . . . . 10.0 109.662 178.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 63.3 mt -64.21 -30.7 71.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.796 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -67.74 -47.53 69.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.28 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -68.4 -38.19 81.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.762 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.7 -27.79 52.17 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.862 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -78.87 -27.3 44.03 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.702 0.287 . . . . 10.0 110.972 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -88.58 -48.28 7.69 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.531 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 31.6 p -85.66 -39.68 17.0 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.736 0.273 . . . . 10.0 111.736 -178.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 60.88 28.23 18.01 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.39 0.614 . . . . 10.0 110.436 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 9.6 t -152.41 117.28 5.12 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.56 -0.746 . . . . 10.0 109.908 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 17.6 m -57.78 -32.26 42.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.302 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -61.9 -44.4 96.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.529 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 17.0 mt -75.3 -38.09 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.719 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 37.7 m -59.09 -52.6 65.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.333 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 2.7 m -62.22 -37.58 85.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 10.0 110.726 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 491' ' ' ASP . . . . . 0.461 ' OD1' ' HG3' ' B' ' 72' ' ' ARG . 4.5 t70 -66.63 -43.98 83.22 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 178.559 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -55.52 -36.55 66.85 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.548 -0.751 . . . . 10.0 110.817 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 83.7 mt -66.73 -45.3 88.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.205 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -34.6 77.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.882 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -61.29 -42.99 99.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.18 0.514 . . . . 10.0 110.44 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 123.16 15.61 3.75 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.54 -0.838 . . . . 10.0 112.708 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -73.58 -37.96 65.31 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 3.6 mp -95.74 124.37 48.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.534 -0.757 . . . . 10.0 109.288 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 . . . . . 0 C--N 1.325 -0.495 0 CA-C-O 120.936 0.398 . . . . 10.0 111.256 -179.235 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 110.18 -0.304 . . . . 10.0 110.18 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 71.8 mm-40 -97.4 143.59 27.98 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.111 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.9 pt -132.64 162.82 39.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.967 -0.753 . . . . 10.0 108.967 178.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -122.69 113.78 19.68 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.873 0.368 . . . . 10.0 111.127 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.8 t -105.05 120.38 55.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.022 -0.536 . . . . 10.0 109.912 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -102.45 134.18 46.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.072 0.463 . . . . 10.0 111.247 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.28 170.45 9.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.708 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.9 mt -68.24 -12.84 61.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.751 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.92 -4.35 58.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.92 0.391 . . . . 10.0 111.347 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.06 34.77 16.99 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.69 -0.767 . . . . 10.0 111.949 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.448 ' HE2' HG12 ' A' ' 13' ' ' ILE . 74.4 tttt -116.02 124.75 51.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.809 0.338 . . . . 10.0 110.415 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.9 m -95.95 114.78 26.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.413 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.448 HG12 ' HE2' ' A' ' 11' ' ' LYS . 20.7 mt -101.98 127.21 55.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.099 -179.349 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.95 133.95 33.55 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.716 -0.475 . . . . 10.0 109.716 178.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.6 mt -133.66 140.35 47.02 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.91 0.386 . . . . 10.0 111.125 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -97.53 109.19 21.99 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.256 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 m -136.22 -177.34 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.319 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.587 ' O ' HD12 ' A' ' 56' ' ' LEU . 35.5 mm-40 -141.56 156.1 66.72 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 108.941 -0.762 . . . . 10.0 108.941 179.18 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.402 ' HD2' ' OE1' ' A' ' 18' ' ' GLU . 11.5 Cg_endo -55.96 -28.41 68.53 Favored 'Trans proline' 0 CA--C 1.53 0.311 0 C-N-CA 122.42 2.08 . . . . 10.0 112.335 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.2 0.61 44.64 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.495 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -80.31 150.98 29.75 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 120.787 0.327 . . . . 10.0 110.29 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -94.83 144.78 25.37 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.239 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 51.7 mm -55.35 -40.68 58.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 120.976 0.417 . . . . 10.0 110.745 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -57.45 -40.9 79.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.8 -0.636 . . . . 10.0 110.832 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -68.0 -35.36 78.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.012 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.35 -41.43 92.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 178.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -61.2 -40.33 93.54 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.609 178.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.76 -37.05 86.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.556 -0.747 . . . . 10.0 110.495 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -67.04 -36.22 81.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.032 -0.531 . . . . 10.0 109.98 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 85.3 mt -68.11 -38.02 79.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 178.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -66.61 -31.77 72.67 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.761 -0.654 . . . . 10.0 109.714 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -69.09 -39.32 79.08 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 69.6 mttt -81.98 -59.4 2.59 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.496 0.554 . . . . 10.0 112.496 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -79.65 -46.91 16.29 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.263 0.468 . . . . 10.0 112.263 -178.003 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.32 9.78 26.85 Favored Glycine 0 N--CA 1.454 -0.162 0 C-N-CA 120.474 -0.869 . . . . 10.0 112.349 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.8 mt -88.33 123.6 68.04 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 110.463 -0.199 . . . . 10.0 110.463 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -55.55 142.37 81.47 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.757 2.305 . . . . 10.0 112.404 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -57.44 -27.14 74.78 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.923 2.415 . . . . 10.0 112.853 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -66.4 -25.89 66.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.009 0.433 . . . . 10.0 110.665 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -102.12 11.0 39.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.106 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -104.61 133.77 48.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.23 -0.441 . . . . 10.0 111.386 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.0 mtt180 -132.65 104.77 6.81 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.114 -0.493 . . . . 10.0 109.708 178.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.3 mt -92.92 126.11 37.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.968 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.6 mp -123.74 132.7 70.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.337 179.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.45 ' HB3' HD21 ' A' ' 50' ' ' LEU . 77.8 t80 -133.76 129.27 36.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.965 -0.562 . . . . 10.0 109.541 179.473 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.55 24.93 13.7 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.661 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.52 7.8 85.76 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.871 -0.68 . . . . 10.0 112.495 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -115.63 133.53 55.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.697 -0.296 . . . . 10.0 110.246 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -77.7 132.08 38.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.276 -0.42 . . . . 10.0 109.953 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.45 HD21 ' HB3' ' A' ' 45' ' ' PHE . 14.9 mt -87.2 142.34 27.98 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.4 -178.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.491 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 18.0 mt-10 -100.42 147.84 25.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.689 -0.687 . . . . 10.0 109.593 178.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -68.07 -20.26 64.94 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.623 0.601 . . . . 10.0 112.623 -178.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.76 4.2 85.84 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.466 -0.874 . . . . 10.0 113.042 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.491 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 22.9 mmt180 -109.63 167.0 10.47 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 122.533 -0.392 . . . . 10.0 110.795 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.5 p -109.93 169.87 8.44 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.542 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 18' ' ' GLU . 63.8 mt -62.91 -34.67 77.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.886 0.374 . . . . 10.0 110.567 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 51.0 m -68.35 -28.24 66.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.871 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -63.52 -26.25 68.62 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.814 0.34 . . . . 10.0 111.297 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -108.89 10.7 26.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.338 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.9 t30 56.99 36.04 27.24 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.461 -0.791 . . . . 10.0 111.22 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 83.7 mt -79.85 115.09 21.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.114 -0.494 . . . . 10.0 109.759 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -99.12 -163.0 1.0 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.655 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -78.26 153.6 31.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.462 -0.335 . . . . 10.0 110.834 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 60.3 24.73 14.18 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.682 -0.69 . . . . 10.0 112.023 178.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.6 m -82.24 145.83 29.82 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.2 m -100.01 122.53 43.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.43 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 mp -117.27 149.12 40.96 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.923 -0.58 . . . . 10.0 109.734 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -109.85 134.32 52.18 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.595 0.236 . . . . 10.0 110.386 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.4 tp -113.52 118.55 34.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.125 0.488 . . . . 10.0 111.472 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.6 t -102.71 139.9 22.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.291 178.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.5 mt . . . . . 0 C--N 1.326 -0.436 0 CA-C-O 120.804 0.335 . . . . 10.0 111.132 -179.357 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptt? . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.656 0.265 . . . . 10.0 110.614 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -122.6 144.51 49.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.856 0.36 . . . . 10.0 111.089 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.9 pt -128.13 165.83 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.173 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.42 ' O ' ' HA ' ' B' ' 66' ' ' THR . 89.7 m-85 -119.95 110.35 16.61 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.375 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 46.5 t -91.53 124.3 43.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.518 -0.31 . . . . 10.0 110.199 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -100.61 138.49 37.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.114 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 16.6 p -112.51 173.23 6.47 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.364 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 35.8 mt -76.67 -8.98 58.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.844 0.354 . . . . 10.0 110.814 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 3.9 p -96.48 -18.64 19.71 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.11 0.481 . . . . 10.0 110.861 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.62 -1.36 45.72 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.744 -0.741 . . . . 10.0 111.744 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 44.0 tttp -72.17 116.91 13.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.521 -0.339 . . . . 10.0 110.564 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.8 m -90.79 119.73 31.25 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.002 0.43 . . . . 10.0 110.467 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 84.0 mt -111.62 123.34 67.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.016 0.436 . . . . 10.0 111.478 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.16 136.33 33.52 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.184 -0.462 . . . . 10.0 109.779 178.564 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 18.9 mt -137.45 138.1 39.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.063 0.459 . . . . 10.0 111.475 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.48 111.24 19.8 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.611 -0.722 . . . . 10.0 109.149 179.03 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 15.8 m -130.16 165.99 28.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.499 -179.234 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.471 ' O ' HD12 ' B' ' 56' ' ' LEU . 24.9 mm-40 -122.47 158.85 55.04 Favored Pre-proline 0 C--N 1.319 -0.75 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.032 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.53 -26.92 80.55 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 121.91 1.74 . . . . 10.0 111.728 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -94.14 9.83 36.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.265 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.463 ' HB2' ' H ' ' B' ' 18' ' ' GLU . 10.7 t0 -80.2 137.39 36.66 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.766 -0.457 . . . . 10.0 109.766 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.45 146.22 27.06 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.668 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 50.0 mm -56.82 -40.78 73.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.896 0.379 . . . . 10.0 110.552 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -61.07 -35.54 77.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.629 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -69.14 -37.79 78.46 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.29 -39.16 84.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.534 178.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.417 ' HE3' ' HB2' ' B' ' 41' ' ' GLN . 2.4 mmmm -59.66 -41.31 90.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.191 178.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.33 -31.15 71.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.657 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -70.29 -38.26 74.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.23 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 63.1 mt -70.05 -37.03 71.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 121.171 0.51 . . . . 10.0 109.788 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.413 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 43.4 tt0 -66.19 -34.75 78.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.042 179.238 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -70.36 -23.64 62.84 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.695 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -89.65 -70.19 0.68 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.123 -0.49 . . . . 10.0 112.112 -179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -83.58 -26.11 30.32 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.496 0.554 . . . . 10.0 112.496 -177.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 94.39 -3.13 68.68 Favored Glycine 0 C--N 1.32 -0.348 0 C-N-CA 120.486 -0.864 . . . . 10.0 112.331 -179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 75.1 mt -61.99 122.02 69.39 Favored Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 110.57 -0.159 . . . . 10.0 110.57 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -55.75 137.27 77.93 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.84 2.36 . . . . 10.0 112.214 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.71 -20.54 43.23 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.667 2.245 . . . . 10.0 112.484 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -68.25 -35.24 77.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.163 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -90.56 -11.67 39.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.887 -179.21 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.417 ' HB2' ' HE3' ' B' ' 27' ' ' LYS . 75.2 mt-30 -78.33 95.57 5.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.117 -0.492 . . . . 10.0 112.129 -178.731 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.466 ' CZ ' HD22 ' D' ' 494' ' ' LEU . 36.0 ttt180 -101.29 100.67 11.21 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.688 -0.856 . . . . 10.0 108.688 177.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 64.9 mt -86.78 130.85 34.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 10.0 111.801 -178.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.4 mp -128.36 141.45 46.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.524 -0.762 . . . . 10.0 110.235 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.523 ' HB3' HD21 ' B' ' 50' ' ' LEU . 67.6 t80 -136.46 124.65 23.1 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.856 -0.424 . . . . 10.0 109.856 178.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.78 26.41 15.55 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 123.589 0.555 . . . . 10.0 111.744 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.23 1.7 78.43 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.801 -0.714 . . . . 10.0 113.102 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -117.59 136.29 53.38 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.249 -0.278 . . . . 10.0 110.249 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.8 143.3 46.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.594 0.235 . . . . 10.0 110.461 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.523 HD21 ' HB3' ' B' ' 45' ' ' PHE . 47.3 mt -94.66 143.02 26.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.059 -179.381 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -92.34 139.59 30.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 10.0 109.771 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -64.96 -27.37 68.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.512 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.65 22.77 12.11 Favored Glycine 0 C--O 1.228 -0.231 0 C-N-CA 120.943 -0.646 . . . . 10.0 112.882 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' B' ' 54' ' ' ARG . 8.2 mmt-85 -127.61 166.35 18.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.815 0.34 . . . . 10.0 110.491 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 49.0 p -109.21 175.33 5.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.26 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.471 HD12 ' O ' ' B' ' 18' ' ' GLU . 96.5 mt -67.26 -35.29 79.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.893 0.377 . . . . 10.0 110.993 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 49.1 m -70.98 -19.21 62.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.528 -0.305 . . . . 10.0 111.576 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -66.19 -31.21 71.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.848 0.356 . . . . 10.0 110.763 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.411 ' HB2' HG13 ' B' ' 61' ' ' ILE . 82.4 m-85 -107.27 13.79 26.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.05 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 61.41 35.49 17.75 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.333 0.587 . . . . 10.0 110.919 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.411 HG13 ' HB2' ' B' ' 59' ' ' TYR . 66.8 mt -82.63 122.31 37.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.033 179.67 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -109.9 -164.42 0.93 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.244 -179.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.468 ' H ' ' HD3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -76.35 156.86 32.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.685 179.865 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 67.34 13.52 9.39 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.858 0.724 . . . . 10.0 111.836 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 20.2 m -81.68 139.78 34.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.613 0.244 . . . . 10.0 110.368 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 2.0 m -91.98 129.74 37.87 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.378 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mp -109.61 131.91 54.63 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.167 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.581 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 35.9 m80 -88.33 116.9 26.88 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.881 -179.578 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.4 tp -104.74 98.42 8.17 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.819 -0.438 . . . . 10.0 109.819 178.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 99.1 t -97.94 127.18 50.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.912 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 49.9 mt -86.04 106.56 17.28 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.838 -0.801 . . . . 10.0 108.838 178.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.688 0 CA-C-O 120.928 0.394 . . . . 10.0 111.579 -178.418 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.88 0.371 . . . . 10.0 111.762 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -61.11 -41.35 96.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.122 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 65.1 mt -64.61 -39.28 93.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.748 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -65.01 -42.44 94.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.46 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -58.81 -42.93 90.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.867 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 54.1 mtm -70.6 -39.89 73.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.545 -0.752 . . . . 10.0 110.593 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.6 95.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.762 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -58.18 -41.37 83.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.834 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -64.67 -41.04 96.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.513 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 82.0 mt -65.68 -34.34 69.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.233 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 -63.31 -25.35 68.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.958 0.409 . . . . 10.0 110.819 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -77.28 -26.44 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.18 -0.463 . . . . 10.0 110.079 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 467' ' ' MET . . . . . 0.581 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 62.8 mmm -88.53 -37.29 15.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.47 -0.786 . . . . 10.0 110.184 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 468' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.17 88.99 19.08 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.715 -0.675 . . . . 10.0 109.848 179.151 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -79.98 23.38 0.68 Allowed 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.706 2.271 . . . . 10.0 113.307 -178.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -150.36 52.58 0.89 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.105 0.479 . . . . 10.0 110.553 -179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 471' ' ' VAL . . . . . . . . . . . . . 12.1 p -146.56 134.54 10.6 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.551 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 472' ' ' PRO . . . . . 0.479 ' HG2' HD12 ' D' ' 475' ' ' LEU . 32.5 Cg_exo -59.77 122.26 11.16 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.316 2.011 . . . . 10.0 112.02 178.696 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -54.46 -44.01 72.17 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.47 -0.786 . . . . 10.0 112.641 -178.398 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 49.9 p-80 -64.3 -28.21 69.56 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.718 0.266 . . . . 10.0 111.718 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 475' ' ' LEU . . . . . 0.479 HD12 ' HG2' ' D' ' 472' ' ' PRO . 23.7 mt -78.04 -30.94 50.12 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.183 -0.303 . . . . 10.0 110.183 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 60.5 t -65.07 -40.81 90.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 109.158 -0.682 . . . . 10.0 109.158 178.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 71.5 mt -63.52 -29.38 70.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.45 -0.796 . . . . 10.0 110.561 178.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -66.12 -49.0 69.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.744 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -66.53 -35.55 80.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.089 0.471 . . . . 10.0 110.092 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.31 -30.75 68.57 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.518 -0.765 . . . . 10.0 111.092 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -87.27 -3.55 59.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.817 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -106.27 -64.57 1.15 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.902 0.382 . . . . 10.0 111.204 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 48.8 p -78.53 -39.0 39.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.868 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 484' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' D' ' 484' ' ' ARG . 52.1 mtt85 64.15 39.72 7.42 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.711 -0.677 . . . . 10.0 111.342 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 3.1 t -154.99 116.36 4.04 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.494 -0.558 . . . . 10.0 109.494 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 10.7 m -55.93 -33.94 36.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 120.721 0.295 . . . . 10.0 111.535 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -64.94 -54.64 27.44 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.382 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 488' ' ' ILE . . . . . 0.405 ' O ' ' HB2' ' D' ' 492' ' ' ASN . 60.5 mt -66.03 -39.21 83.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.175 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 66.2 m -58.99 -55.04 40.31 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.784 0.29 . . . . 10.0 111.784 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 2.4 m -60.9 -37.37 82.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.738 0.304 . . . . 10.0 111.142 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -68.67 -41.03 79.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.398 0.618 . . . . 10.0 109.979 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 492' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' D' ' 488' ' ' ILE . 30.1 t30 -60.77 -43.84 97.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.038 -0.983 . . . . 10.0 110.181 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 77.1 mt -68.31 -36.25 74.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.609 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 494' ' ' LEU . . . . . 0.466 HD22 ' CZ ' ' B' ' 42' ' ' ARG . 0.1 OUTLIER -63.02 -22.63 66.99 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.005 0.431 . . . . 10.0 110.983 179.881 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -91.42 -4.07 56.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.853 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 81.71 29.01 40.53 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.955 -0.64 . . . . 10.0 113.401 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -69.96 -41.69 74.15 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.213 -0.662 . . . . 10.0 109.213 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -92.56 145.95 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 N-CA-C 108.673 -0.862 . . . . 10.0 108.673 178.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 . . . . . 0 C--N 1.327 -0.372 0 CA-C-O 121.168 0.508 . . . . 10.0 111.485 -179.192 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.519 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 24.4 ptt? . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 109.862 -0.421 . . . . 10.0 109.862 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -94.95 133.93 38.16 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.259 -0.428 . . . . 10.0 112.062 -178.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.0 pt -123.43 163.16 23.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.211 -0.663 . . . . 10.0 109.211 178.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.578 ' O ' ' HA ' ' A' ' 66' ' ' THR . 86.9 m-85 -120.05 112.34 19.02 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.648 0.261 . . . . 10.0 110.782 -179.277 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.0 t -98.88 121.24 49.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -104.24 134.36 47.6 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.233 0.54 . . . . 10.0 111.354 -178.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.0 p -103.37 166.94 10.13 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.493 -0.776 . . . . 10.0 110.199 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.9 mt -67.89 -17.84 64.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.13 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.03 -2.31 51.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.348 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.98 16.36 61.29 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.784 -0.722 . . . . 10.0 112.792 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HE2' HG12 ' A' ' 13' ' ' ILE . 68.9 tttt -100.35 139.14 36.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.734 0.302 . . . . 10.0 110.74 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 m -113.04 121.42 44.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.091 -0.504 . . . . 10.0 109.831 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.415 HG12 ' HE2' ' A' ' 11' ' ' LYS . 19.4 mt -105.71 128.65 59.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.95 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.83 117.96 30.8 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.606 -0.516 . . . . 10.0 109.606 178.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.6 mt -117.28 150.95 37.94 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.996 0.427 . . . . 10.0 111.883 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -99.84 111.65 23.96 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.413 -0.812 . . . . 10.0 109.097 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.519 ' O ' ' HG2' ' A' ' 1' ' ' MET . 14.1 m -139.38 167.57 19.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.112 -179.343 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.471 ' O ' HD12 ' A' ' 56' ' ' LEU . 19.6 mm-40 -127.63 157.99 71.46 Favored Pre-proline 0 C--N 1.318 -0.801 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.91 -27.37 34.9 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 122.698 2.266 . . . . 10.0 113.403 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.84 2.85 47.65 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.994 0.368 . . . . 10.0 111.994 -179.265 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -79.42 154.78 28.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.648 0.261 . . . . 10.0 110.93 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.1 p -101.06 149.37 24.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.069 -179.416 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.6 mm -56.65 -43.35 78.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.166 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.82 -33.24 74.8 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.778 0.323 . . . . 10.0 110.71 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -71.83 -39.21 69.92 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.568 -0.531 . . . . 10.0 109.568 179.159 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 22' ' ' THR . 75.8 t -62.03 -42.98 96.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.806 -0.633 . . . . 10.0 109.836 178.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -62.8 -36.07 81.94 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.18 0.514 . . . . 10.0 110.104 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.39 -35.83 82.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.098 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.85 -30.6 71.24 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 109.587 -0.523 . . . . 10.0 109.587 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.4 mt -69.72 -32.42 52.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 108.585 -0.894 . . . . 10.0 108.585 177.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -71.59 -28.84 64.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.353 -0.84 . . . . 10.0 109.408 178.58 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -71.8 -30.34 65.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.465 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.5 mmtt -93.96 -57.94 2.39 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.72 0.637 . . . . 10.0 112.72 -178.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -92.25 -29.67 16.29 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.736 0.643 . . . . 10.0 112.736 -177.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.17 54.86 3.92 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.387 -0.911 . . . . 10.0 112.087 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.5 mt -118.02 131.65 24.07 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 109.835 -0.431 . . . . 10.0 109.835 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.61 123.46 13.4 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.846 2.364 . . . . 10.0 112.756 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -57.23 -25.04 62.59 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.992 2.461 . . . . 10.0 113.362 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -62.79 -39.37 94.03 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.929 0.395 . . . . 10.0 111.416 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.473 ' O ' ' HA ' ' A' ' 71' ' ' LEU . 64.8 mt-30 -90.34 1.21 56.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.123 -178.669 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -89.08 107.58 19.12 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.724 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -112.75 105.21 13.3 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.314 -0.624 . . . . 10.0 109.314 178.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.508 ' HB3' HD12 ' A' ' 50' ' ' LEU . 31.0 mt -89.6 136.53 32.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.305 -179.029 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 58.2 mt -129.5 131.16 67.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.694 -0.684 . . . . 10.0 109.726 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.41 ' HB3' HD21 ' A' ' 50' ' ' LEU . 42.0 t80 -129.36 119.54 24.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.66 -0.245 . . . . 10.0 110.409 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.63 31.85 21.54 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.158 -0.473 . . . . 10.0 111.334 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.99 -7.96 75.37 Favored Glycine 0 C--O 1.229 -0.165 0 C-N-CA 120.794 -0.717 . . . . 10.0 112.412 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -95.55 129.65 42.66 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.281 -0.266 . . . . 10.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -76.68 131.37 38.77 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.718 -0.475 . . . . 10.0 109.718 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.508 HD12 ' HB3' ' A' ' 43' ' ' LEU . 21.5 mt -90.4 122.79 33.58 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.843 0.354 . . . . 10.0 110.872 -179.385 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.429 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 40.0 mt-10 -84.54 153.45 23.26 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.041 -0.527 . . . . 10.0 109.82 179.151 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.52 -44.56 93.88 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.348 0.499 . . . . 10.0 112.348 -178.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.63 43.36 3.05 Favored Glycine 0 CA--C 1.518 0.235 0 C-N-CA 120.98 -0.628 . . . . 10.0 113.563 -178.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.429 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 21.5 mmt180 -132.63 160.3 37.06 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.116 -0.327 . . . . 10.0 110.116 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 79.1 p -105.73 173.38 6.33 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.876 -0.416 . . . . 10.0 109.876 178.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.471 HD12 ' O ' ' A' ' 18' ' ' GLU . 29.5 mt -69.5 -30.1 67.89 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.247 0.546 . . . . 10.0 109.82 178.743 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.0 m -73.38 -22.15 60.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.615 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.473 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.1 m-20 -60.92 -37.65 83.02 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.874 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -105.11 11.26 33.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.734 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 57.9 t30 57.63 42.19 24.36 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.34 0.591 . . . . 10.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 92.4 mt -81.18 132.26 31.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.447 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -121.02 -163.52 1.04 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.609 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.456 ' HE3' ' OE2' ' A' ' 64' ' ' GLU . 58.6 pttt -73.51 155.03 39.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.616 0.246 . . . . 10.0 110.622 179.341 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.456 ' OE2' ' HE3' ' A' ' 63' ' ' LYS . 36.1 mt-10 67.17 8.72 6.4 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.719 -0.673 . . . . 10.0 112.277 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.9 m -70.64 127.84 34.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.771 0.319 . . . . 10.0 110.591 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.578 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 83.8 m -93.94 110.86 22.51 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.841 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mp -99.6 142.05 31.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.553 -0.749 . . . . 10.0 109.827 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -100.81 127.11 47.39 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 110.14 -0.319 . . . . 10.0 110.14 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.5 tp -107.33 114.71 28.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.027 0.442 . . . . 10.0 110.711 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 39.5 t -112.26 134.41 54.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.853 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.473 ' HA ' ' O ' ' A' ' 40' ' ' GLN . 72.4 mt . . . . . 0 C--N 1.327 -0.398 0 CA-C-O 120.847 0.356 . . . . 10.0 110.493 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.438 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 25.6 ptt? . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 109.931 -0.396 . . . . 10.0 109.931 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -104.17 137.8 41.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.751 0.31 . . . . 10.0 111.333 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 20.9 pt -122.57 160.06 25.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.707 -0.479 . . . . 10.0 109.707 178.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -119.24 109.18 15.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.951 0.405 . . . . 10.0 111.215 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 52.3 t -93.77 120.73 43.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.159 -0.473 . . . . 10.0 109.806 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -103.19 125.35 49.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.091 0.472 . . . . 10.0 111.195 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -98.16 158.22 15.68 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.891 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 80.2 mt -59.91 -14.83 17.36 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 122.692 0.397 . . . . 10.0 112.001 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.5 p -84.44 -3.6 58.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.264 -0.425 . . . . 10.0 111.707 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.3 19.42 57.1 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 10.0 111.364 -179.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -102.16 129.76 48.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.646 -0.277 . . . . 10.0 110.336 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -113.63 112.79 24.09 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.874 -0.417 . . . . 10.0 109.874 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 8.7 mt -102.67 142.33 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.606 -178.577 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.0 137.96 37.73 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.112 178.633 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 67.5 mt -138.87 131.56 29.06 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.672 -0.24 . . . . 10.0 111.016 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -82.62 114.98 21.37 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.056 -0.72 . . . . 10.0 109.056 178.386 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.438 ' O ' ' HG2' ' B' ' 1' ' ' MET . 16.5 m -134.58 171.13 18.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.855 -0.612 . . . . 10.0 110.448 -179.356 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.472 ' O ' HD12 ' B' ' 56' ' ' LEU . 15.4 mm-40 -133.09 159.79 71.25 Favored Pre-proline 0 C--N 1.32 -0.694 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 179.421 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.79 -27.73 54.05 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.412 2.075 . . . . 10.0 112.594 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.35 -2.06 57.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.137 -0.483 . . . . 10.0 112.133 -179.387 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -76.01 146.13 39.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.742 0.306 . . . . 10.0 110.306 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.461 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.1 OUTLIER -98.23 149.79 22.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.009 -179.301 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 51.8 mm -57.48 -36.94 55.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.037 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -62.47 -41.65 98.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.386 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.419 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 62.4 t30 -69.21 -37.27 77.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.826 0.346 . . . . 10.0 110.523 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 22' ' ' THR . 88.8 t -59.83 -41.38 85.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.213 -0.449 . . . . 10.0 109.855 179.004 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -66.76 -33.45 75.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.594 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.22 -31.14 72.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.074 0.464 . . . . 10.0 110.111 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 91.3 mttt -69.2 -38.04 78.42 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.891 179.344 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 49.2 mt -71.64 -28.16 30.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 178.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.51 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 33.4 tt0 -74.16 -22.57 59.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.628 178.474 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -80.85 -46.57 15.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.034 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -74.48 -65.69 0.83 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.804 -0.635 . . . . 10.0 111.631 -179.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -81.04 -54.26 5.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.154 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.51 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 105.8 44.83 1.36 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.481 -0.866 . . . . 10.0 112.338 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.8 mt -105.39 123.68 38.8 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 109.969 -0.382 . . . . 10.0 109.969 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 52.7 Cg_exo -54.46 140.96 74.14 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.579 2.186 . . . . 10.0 112.164 179.547 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 32.1 Cg_exo -57.76 -21.01 45.89 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.892 2.394 . . . . 10.0 112.869 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.56 -32.01 62.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.588 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.506 ' HA ' ' HG2' ' B' ' 72' ' ' ARG . 68.5 mt-30 -91.98 -19.31 22.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.083 0.468 . . . . 10.0 110.442 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -79.12 97.97 6.37 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.453 -0.794 . . . . 10.0 111.606 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -103.46 99.22 9.04 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.37 -0.604 . . . . 10.0 109.37 178.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.464 ' HB3' HD12 ' B' ' 50' ' ' LEU . 70.4 mt -82.49 126.42 32.23 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.168 0.508 . . . . 10.0 111.186 -179.389 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.463 HG12 ' CZ ' ' D' ' 468' ' ' PHE . 1.4 mp -122.97 147.4 27.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.43 -0.804 . . . . 10.0 109.531 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -140.53 118.53 11.87 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.904 -0.406 . . . . 10.0 109.904 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.89 21.52 11.72 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.898 179.209 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.56 18.33 38.75 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.582 -0.818 . . . . 10.0 113.059 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -132.37 163.1 29.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.477 -0.426 . . . . 10.0 110.136 179.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.71 146.33 25.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.974 0.416 . . . . 10.0 111.259 -179.176 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.464 HD12 ' HB3' ' B' ' 43' ' ' LEU . 61.4 mt -95.35 123.22 38.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.903 -0.589 . . . . 10.0 109.687 178.777 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -71.77 127.51 32.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.864 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.65 -33.28 72.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.366 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.12 33.2 4.58 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.183 -0.532 . . . . 10.0 112.66 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 77.5 mmt-85 -135.36 170.78 15.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.948 0.404 . . . . 10.0 110.403 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 40.2 p -108.86 175.08 5.59 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.958 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.472 HD12 ' O ' ' B' ' 18' ' ' GLU . 47.9 mt -70.48 -28.06 64.7 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.537 179.471 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 15.5 m -67.73 -27.63 66.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.822 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -59.07 -42.93 91.54 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.141 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -98.0 10.05 41.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.803 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 52.3 t30 56.67 40.07 29.43 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.458 -0.792 . . . . 10.0 111.692 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 90.3 mt -74.26 116.86 17.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -103.89 -170.84 1.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.504 -178.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 48.6 pttt -70.9 146.87 49.31 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.737 -0.665 . . . . 10.0 110.778 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 59.98 34.58 21.52 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.672 -0.694 . . . . 10.0 112.297 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 22.3 m -95.66 142.05 28.42 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.22 -0.289 . . . . 10.0 110.22 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 29.4 m -88.26 119.94 29.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.935 0.398 . . . . 10.0 111.255 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -102.23 135.53 43.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.415 178.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -89.65 129.8 36.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.779 0.323 . . . . 10.0 110.427 -179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 49.7 tp -116.97 110.86 18.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.932 0.396 . . . . 10.0 110.388 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.45 HG13 ' HB ' ' D' ' 490' ' ' THR . 74.2 t -99.64 132.51 44.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.801 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 30.2 mt -87.03 133.06 33.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.086 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.568 ' HB2' ' OD1' ' D' ' 491' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 CA-C-O 120.979 0.419 . . . . 10.0 110.556 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.208 0 CA-C-O 120.803 0.335 . . . . 10.0 111.365 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -67.56 -41.32 84.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.049 0.452 . . . . 10.0 110.514 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 71.8 mt -66.96 -37.02 83.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.883 -0.599 . . . . 10.0 109.937 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -63.33 -37.65 88.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.487 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.71 94.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.754 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 48.2 mtm -73.67 -44.61 56.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.585 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.46 -35.99 79.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.76 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -57.27 -40.58 78.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.674 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -72.1 -35.8 69.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.064 0.459 . . . . 10.0 110.503 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 464' ' ' ILE . . . . . 0.608 HG23 HG23 ' D' ' 490' ' ' THR . 93.6 mt -68.94 -34.57 64.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.484 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -62.01 -29.2 70.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.372 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -73.38 -36.37 66.07 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.535 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 22.9 mmt -71.19 -42.02 69.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.615 -179.23 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 468' ' ' PHE . . . . . 0.463 ' CZ ' HG12 ' B' ' 44' ' ' ILE . 16.2 m-85 -123.19 83.2 51.61 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.387 179.24 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -75.84 45.24 1.45 Allowed 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 122.464 2.109 . . . . 10.0 112.986 -179.049 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -157.24 23.21 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.36 . . . . 10.0 111.239 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 471' ' ' VAL . . . . . 0.446 HG12 ' O ' ' D' ' 468' ' ' PHE . 7.3 p -120.48 132.02 24.27 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 110.039 -0.356 . . . . 10.0 110.039 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 472' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -57.2 122.97 12.73 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.565 2.176 . . . . 10.0 112.302 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -55.36 -38.46 68.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.439 -0.8 . . . . 10.0 112.075 -178.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 31.7 p80 -65.54 -24.82 67.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.746 0.308 . . . . 10.0 111.072 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 33.4 mt -83.22 -32.52 26.45 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.583 -0.525 . . . . 10.0 109.583 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 40.6 t -66.98 -45.31 87.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 109.343 -0.614 . . . . 10.0 109.343 178.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 46.8 mt -63.51 -25.26 68.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.567 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -63.82 -55.66 21.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.357 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -68.65 -29.28 67.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.798 0.332 . . . . 10.0 110.511 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.11 -23.07 66.32 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.156 178.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -92.59 -17.91 23.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.064 -0.517 . . . . 10.0 109.93 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -88.72 -59.16 2.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.202 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 67.1 p -90.46 -42.31 10.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.641 -178.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 64.48 41.02 5.86 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.453 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 12.3 t -154.49 124.68 6.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.665 -179.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 486' ' ' VAL . . . . . 0.41 HG12 HD11 ' D' ' 464' ' ' ILE . 34.4 m -66.58 -24.64 33.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.904 0.383 . . . . 10.0 111.246 -179.329 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -78.9 -5.23 53.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.079 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 53.4 mt -116.65 -44.75 3.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 110.083 -0.34 . . . . 10.0 110.083 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 86.9 m -58.0 -67.19 0.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.039 -0.528 . . . . 10.0 112.004 -178.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 490' ' ' THR . . . . . 0.608 HG23 HG23 ' D' ' 464' ' ' ILE . 0.3 OUTLIER -55.61 -37.63 68.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.995 0.426 . . . . 10.0 111.67 -179.119 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 491' ' ' ASP . . . . . 0.568 ' OD1' ' HB2' ' B' ' 72' ' ' ARG . 24.0 t70 -68.64 -55.52 11.22 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.918 -179.562 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -59.34 -31.5 69.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.629 -179.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 75.6 mt -64.82 -41.84 93.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 109.33 -0.618 . . . . 10.0 109.33 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.39 -39.55 91.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.476 -0.784 . . . . 10.0 110.886 179.392 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -74.3 -50.16 20.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.791 -0.641 . . . . 10.0 111.232 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 136.45 84.56 0.16 Allowed Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.86 -0.686 . . . . 10.0 111.951 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 497' ' ' ARG . . . . . 0.448 ' HB3' HD12 ' D' ' 498' ' ' ILE . 2.2 tpp180 -133.18 -48.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.932 0.396 . . . . 10.0 110.261 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 498' ' ' ILE . . . . . 0.448 HD12 ' HB3' ' D' ' 497' ' ' ARG . 3.8 mp -95.87 143.82 11.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.479 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.944 0.402 . . . . 10.0 111.018 179.659 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.482 1.15 0 N-CA-C 109.818 -0.438 . . . . 10.0 109.818 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -105.86 135.36 47.43 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.941 0.401 . . . . 10.0 111.25 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.4 pt -115.73 162.71 13.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.817 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.458 ' O ' ' HA ' ' A' ' 66' ' ' THR . 55.6 m-85 -117.75 109.5 16.68 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.894 0.378 . . . . 10.0 110.678 -179.345 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 37.2 t -96.84 113.32 30.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.158 -0.474 . . . . 10.0 109.894 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.9 tttp -96.77 125.95 41.58 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.901 0.382 . . . . 10.0 111.178 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.41 157.34 15.95 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.624 178.773 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 38.6 mt -60.84 -16.65 43.55 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.928 0.394 . . . . 10.0 111.808 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.13 -13.22 60.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.351 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.39 9.54 55.11 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.969 -0.634 . . . . 10.0 111.658 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -97.74 131.99 43.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.658 0.266 . . . . 10.0 110.409 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.1 m -112.05 114.26 27.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.225 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.6 mt -94.45 144.09 10.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.935 -178.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -111.88 118.24 34.96 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.754 -0.462 . . . . 10.0 109.754 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.2 mt -120.93 150.3 41.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.782 0.325 . . . . 10.0 111.529 -178.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -95.66 115.34 27.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.771 -0.65 . . . . 10.0 109.481 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.2 m -140.74 179.43 2.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.148 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.501 ' O ' HD12 ' A' ' 56' ' ' LEU . 6.2 mm-40 -140.84 155.71 69.0 Favored Pre-proline 0 C--N 1.32 -0.698 0 N-CA-C 108.095 -1.076 . . . . 10.0 108.095 178.655 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -50.9 -30.71 31.2 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.501 2.134 . . . . 10.0 113.366 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.73 0.73 25.63 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.55 0.574 . . . . 10.0 112.55 -179.11 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -83.3 152.05 25.3 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.748 0.309 . . . . 10.0 110.394 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.456 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -99.07 150.48 21.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.871 -179.54 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.1 mm -58.4 -34.69 51.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.021 0.438 . . . . 10.0 110.613 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -59.83 -44.38 94.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.467 178.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -68.28 -37.93 81.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.327 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 22' ' ' THR . 60.5 t -62.24 -42.34 94.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.255 -0.429 . . . . 10.0 109.873 179.068 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -63.84 -36.61 84.46 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.068 -0.515 . . . . 10.0 109.955 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.23 -36.44 83.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.975 178.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -65.25 -36.95 85.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.035 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.7 mt -69.63 -37.93 75.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.248 -0.649 . . . . 10.0 109.248 178.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -66.33 -35.08 79.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.49 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -68.85 -33.32 73.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.809 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -92.21 -62.34 1.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.385 0.513 . . . . 10.0 112.385 -179.311 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -69.62 -46.52 66.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.745 0.307 . . . . 10.0 111.09 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.01 -3.19 31.62 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.553 -0.832 . . . . 10.0 112.345 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 34.4 mt -78.66 126.27 82.94 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 110.557 -0.164 . . . . 10.0 110.557 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -59.74 143.82 99.56 Favored 'Trans proline' 0 CA--C 1.529 0.265 0 C-N-CA 122.492 2.128 . . . . 10.0 112.137 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -68.17 -8.51 23.03 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.963 2.442 . . . . 10.0 113.417 -178.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -72.18 -38.91 68.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.073 0.464 . . . . 10.0 111.008 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -90.29 -11.23 41.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.357 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -74.3 111.11 9.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.44 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' A' ' 42' ' ' ARG . 10.2 mmt85 -112.27 99.01 7.69 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.201 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.436 ' HB3' HD12 ' A' ' 50' ' ' LEU . 30.1 mt -89.01 127.59 35.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.881 -0.599 . . . . 10.0 111.396 -179.277 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mp -126.96 134.54 65.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.698 -0.683 . . . . 10.0 109.328 179.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -115.03 98.19 6.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.577 0.227 . . . . 10.0 110.723 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.44 55.35 7.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.737 -0.665 . . . . 10.0 112.465 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.35 12.18 84.81 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.908 -0.663 . . . . 10.0 113.477 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -123.22 111.22 16.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.757 0.278 . . . . 10.0 110.489 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -65.53 130.08 42.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.363 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.436 HD12 ' HB3' ' A' ' 43' ' ' LEU . 14.6 mt -93.9 135.49 35.18 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.802 0.334 . . . . 10.0 110.858 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.401 ' CD ' ' HE ' ' A' ' 54' ' ' ARG . 4.1 mt-10 -100.56 152.33 20.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.168 179.253 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.95 -45.96 89.19 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.517 0.562 . . . . 10.0 112.517 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.28 27.0 2.46 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 121.028 -0.606 . . . . 10.0 114.392 -178.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.402 ' HG3' ' OH ' ' A' ' 59' ' ' TYR . 22.8 mmt180 -120.54 153.76 36.28 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.217 0.509 . . . . 10.0 110.383 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.1 p -99.08 165.96 11.48 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.652 -0.499 . . . . 10.0 109.652 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.501 HD12 ' O ' ' A' ' 18' ' ' GLU . 97.4 mt -64.18 -32.36 73.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.027 0.441 . . . . 10.0 110.01 179.327 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.86 -22.25 64.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.17 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -70.0 -22.23 63.15 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.352 -0.386 . . . . 10.0 111.434 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.402 ' OH ' ' HG3' ' A' ' 54' ' ' ARG . 90.1 m-85 -113.94 11.45 17.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.63 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.9 t30 61.5 30.98 19.03 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.387 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 85.9 mt -77.75 111.71 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.378 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -103.88 -165.23 1.13 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.855 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -71.25 150.3 45.38 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.928 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 64.49 17.74 10.99 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.625 -0.716 . . . . 10.0 112.535 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.6 m -79.96 141.35 36.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.688 0.28 . . . . 10.0 110.662 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.458 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 1.9 m -98.79 127.16 44.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.119 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -111.24 144.2 40.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.904 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -98.99 125.58 44.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.64 -0.254 . . . . 10.0 110.583 -179.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.4 tp -108.17 109.24 20.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.14 0.495 . . . . 10.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 28.4 t -107.71 146.5 13.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.643 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.5 mt . . . . . 0 C--N 1.325 -0.474 0 N-CA-C 110.241 -0.281 . . . . 10.0 110.241 179.959 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.4 ptt? . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 110.176 -0.305 . . . . 10.0 110.176 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -103.89 145.08 30.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.881 0.372 . . . . 10.0 111.25 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 18.3 pt -132.2 158.99 43.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.058 -0.519 . . . . 10.0 109.675 178.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -119.06 103.49 9.6 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.711 0.291 . . . . 10.0 110.422 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 37.0 t -93.0 120.34 42.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.162 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -99.92 151.7 21.01 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.781 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 12.4 p -127.3 160.97 29.71 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.361 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.562 HD23 ' HG3' ' D' ' 467' ' ' MET . 25.2 mt -62.7 -23.11 66.98 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.086 0.469 . . . . 10.0 110.906 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.41 -14.79 60.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.409 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.95 18.1 45.04 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.938 -0.649 . . . . 10.0 112.116 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -101.01 133.31 45.7 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.68 0.276 . . . . 10.0 110.552 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 21.8 m -101.32 119.51 38.87 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.228 -0.442 . . . . 10.0 109.912 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 26.1 mt -101.95 123.14 54.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.794 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.78 126.37 47.34 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.888 -0.597 . . . . 10.0 109.844 178.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.9 mt -136.83 151.23 48.9 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.005 0.431 . . . . 10.0 111.485 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -87.78 116.39 25.9 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.479 -0.782 . . . . 10.0 110.286 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 18.7 m -138.91 167.71 20.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.065 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.545 ' O ' HD12 ' B' ' 56' ' ' LEU . 10.3 mm-40 -139.07 158.88 68.74 Favored Pre-proline 0 C--N 1.32 -0.712 0 N-CA-C 108.927 -0.768 . . . . 10.0 108.927 179.263 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.29 -25.53 30.97 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.521 2.147 . . . . 10.0 113.287 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -87.01 1.14 53.82 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.249 0.462 . . . . 10.0 112.249 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -76.71 157.2 31.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.805 0.336 . . . . 10.0 110.405 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.451 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.2 OUTLIER -104.48 144.41 31.71 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.635 -179.15 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.406 HG12 ' O ' ' B' ' 54' ' ' ARG . 43.2 mm -56.31 -41.42 70.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-O 120.791 0.329 . . . . 10.0 110.689 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -60.85 -41.98 96.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.171 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -66.01 -38.12 87.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.376 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 22' ' ' THR . 94.8 t -59.34 -44.26 91.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.009 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -63.61 -35.22 79.81 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.308 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.36 -34.0 77.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.127 0.489 . . . . 10.0 109.926 178.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -69.91 -36.17 75.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.775 -0.648 . . . . 10.0 109.844 178.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 69.1 mt -70.2 -33.2 53.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.461 -0.57 . . . . 10.0 109.461 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -67.83 -23.59 65.19 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.57 -0.741 . . . . 10.0 110.303 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -73.38 -44.73 57.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.496 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -80.69 -53.13 6.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.809 -0.632 . . . . 10.0 112.103 -178.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -80.03 -60.69 2.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.622 0.248 . . . . 10.0 111.318 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.91 -5.47 13.84 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.474 -0.87 . . . . 10.0 112.402 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.2 mt -76.81 126.94 85.14 Favored Pre-proline 0 C--N 1.329 -0.314 0 N-CA-C 110.3 -0.259 . . . . 10.0 110.3 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 50.3 Cg_exo -55.12 138.05 78.01 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.851 2.367 . . . . 10.0 112.387 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 50.1 Cg_exo -55.58 -24.71 46.22 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.228 2.619 . . . . 10.0 113.093 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.05 -29.82 70.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.124 0.488 . . . . 10.0 111.02 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -100.76 5.64 43.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.037 -0.528 . . . . 10.0 110.953 -179.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -96.06 115.28 27.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.664 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.512 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 34.5 mtp180 -109.61 105.08 14.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.107 179.273 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 28.5 mt -90.57 123.33 34.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.008 0.432 . . . . 10.0 111.183 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -118.74 132.67 67.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.31 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.404 ' CB ' HD21 ' B' ' 50' ' ' LEU . 62.5 t80 -121.25 112.92 19.22 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.914 -0.585 . . . . 10.0 109.699 179.211 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.35 22.81 8.21 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.716 -0.674 . . . . 10.0 112.641 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.61 0.59 43.07 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.594 -0.812 . . . . 10.0 113.792 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -117.99 146.36 44.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 117.145 0.472 . . . . 10.0 110.401 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.418 HE21 ' HB3' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -84.08 142.56 30.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.94 0.4 . . . . 10.0 110.941 -179.527 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.404 HD21 ' CB ' ' B' ' 45' ' ' PHE . 30.8 mt -95.48 123.91 39.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.081 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.46 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 15.6 mt-10 -76.73 142.37 40.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.31 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.13 -54.33 21.41 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.951 0.723 . . . . 10.0 112.951 -178.804 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.59 51.38 4.4 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.001 -0.618 . . . . 10.0 113.99 -178.445 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.46 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 31.4 mmt180 -135.86 158.08 45.29 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.978 -0.379 . . . . 10.0 109.978 179.309 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.443 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 23.5 p -101.59 163.12 12.42 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.545 HD12 ' O ' ' B' ' 18' ' ' GLU . 90.4 mt -64.43 -29.93 70.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.008 0.432 . . . . 10.0 110.663 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 5.1 p -75.26 -16.45 60.45 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.877 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' B' ' 55' ' ' THR . 17.2 m-20 -68.71 -28.02 66.47 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.145 0.498 . . . . 10.0 110.612 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -108.45 16.15 23.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.601 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 57.63 33.81 23.71 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.537 -0.756 . . . . 10.0 112.161 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 76.2 mt -76.18 115.63 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 N-CA-C 109.581 -0.526 . . . . 10.0 109.581 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -101.18 -173.86 2.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.461 -178.29 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 44.1 pttt -66.43 137.63 56.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.658 -0.701 . . . . 10.0 111.131 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 61.91 65.01 0.94 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.915 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.0 m -119.41 146.78 45.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.563 -0.744 . . . . 10.0 110.453 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 92.5 m -91.02 127.9 36.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.979 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -119.26 137.61 53.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.474 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -102.28 120.83 41.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.875 0.369 . . . . 10.0 110.837 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 55.2 tp -102.02 97.62 7.93 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.891 -0.411 . . . . 10.0 109.891 179.19 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.512 ' HB ' ' HB2' ' B' ' 42' ' ' ARG . 70.1 t -76.57 119.47 24.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.278 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 27.6 mt -78.21 130.91 36.86 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.249 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.321 -0.656 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.978 0.418 . . . . 10.0 111.048 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 456' ' ' GLN . . . . . 0.482 ' O ' ' HB2' ' D' ' 460' ' ' MET . 69.8 mm-40 -66.77 -34.61 78.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.969 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.1 -49.02 66.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.788 0.327 . . . . 10.0 110.417 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -63.72 -42.88 97.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.561 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.79 -41.35 97.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.892 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 460' ' ' MET . . . . . 0.482 ' HB2' ' O ' ' D' ' 456' ' ' GLN . 9.5 ttm -64.76 -40.5 95.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.185 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -66.85 -30.17 70.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.865 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 53.3 t60 -60.94 -34.74 75.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.901 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -66.39 -38.62 87.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.847 179.052 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 57.5 mt -72.51 -35.4 51.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.706 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 41.8 tp60 -60.23 -31.17 69.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.05 0.453 . . . . 10.0 110.74 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -80.57 -23.8 39.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.805 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 467' ' ' MET . . . . . 0.562 ' HG3' HD23 ' B' ' 8' ' ' LEU . 87.6 mmm -87.94 -33.79 18.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.832 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 468' ' ' PHE . . . . . 0.449 ' O ' HG12 ' D' ' 471' ' ' VAL . 0.1 OUTLIER -123.96 81.79 56.26 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.869 179.548 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -76.69 44.06 1.35 Allowed 'Trans proline' 0 CA--C 1.529 0.24 0 C-N-CA 123.134 2.556 . . . . 10.0 113.039 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -156.68 24.98 0.33 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.831 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 471' ' ' VAL . . . . . 0.449 HG12 ' O ' ' D' ' 468' ' ' PHE . 12.0 p -128.81 134.54 26.42 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.476 -0.329 . . . . 10.0 110.459 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 472' ' ' PRO . . . . . 0.442 ' O ' HG23 ' D' ' 476' ' ' VAL . 32.4 Cg_exo -61.37 127.25 21.39 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.719 2.279 . . . . 10.0 112.09 179.179 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -52.71 -45.0 66.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.611 -0.722 . . . . 10.0 112.559 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 31.5 p-80 -62.92 -31.73 72.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.631 0.253 . . . . 10.0 111.572 -178.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 475' ' ' LEU . . . . . 0.442 HD12 ' HG2' ' D' ' 472' ' ' PRO . 13.2 mt -74.8 -31.6 61.76 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.857 -0.337 . . . . 10.0 110.191 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 476' ' ' VAL . . . . . 0.442 HG23 ' O ' ' D' ' 472' ' ' PRO . 35.5 t -67.92 -41.3 84.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 108.673 -0.862 . . . . 10.0 108.673 178.006 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.22 -28.7 70.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.342 -0.845 . . . . 10.0 110.445 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -62.53 -57.68 10.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.422 179.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 479' ' ' ASP . . . . . 0.49 ' HB3' HG23 ' D' ' 489' ' ' THR . 12.6 t70 -64.87 -34.55 78.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.511 -179.476 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.11 -28.9 66.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.146 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -85.7 -9.33 57.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.145 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 482' ' ' LEU . . . . . 0.483 HD13 ' HA ' ' D' ' 482' ' ' LEU . 2.1 mm? -105.92 -51.9 2.9 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.779 0.289 . . . . 10.0 111.779 -179.144 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 69.5 p -89.22 -37.2 15.16 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.598 0.222 . . . . 10.0 111.598 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 63.82 33.42 12.73 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.131 -0.486 . . . . 10.0 112.006 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 485' ' ' SER . . . . . 0.466 ' OG ' HG13 ' D' ' 488' ' ' ILE . 1.1 t -147.17 132.0 18.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.522 -0.308 . . . . 10.0 110.171 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 18.5 m -63.7 -36.21 75.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.23 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -66.16 -47.05 75.25 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.837 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 488' ' ' ILE . . . . . 0.466 HG13 ' OG ' ' D' ' 485' ' ' SER . 14.5 mt -69.03 -43.31 82.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 121.045 -0.262 . . . . 10.0 111.478 -179.259 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 489' ' ' THR . . . . . 0.506 ' O ' HG13 ' D' ' 493' ' ' ILE . 90.6 m -61.16 -53.19 60.05 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.897 0.332 . . . . 10.0 111.897 -179.109 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 2.8 m -62.22 -36.95 83.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.844 0.354 . . . . 10.0 110.938 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -68.18 -43.9 77.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.088 0.47 . . . . 10.0 109.957 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 492' ' ' ASN . . . . . 0.413 ' HB3' ' HB3' ' D' ' 497' ' ' ARG . 4.9 m-20 -54.12 -41.86 68.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.454 -0.794 . . . . 10.0 110.664 179.346 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 493' ' ' ILE . . . . . 0.506 HG13 ' O ' ' D' ' 489' ' ' THR . 56.8 mt -61.13 -45.16 99.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.65 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 3.6 mt -66.83 -34.45 77.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.764 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -73.92 -27.02 60.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.929 0.395 . . . . 10.0 110.965 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 111.66 24.24 5.35 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.591 -0.814 . . . . 10.0 112.87 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 497' ' ' ARG . . . . . 0.413 ' HB3' ' HB3' ' D' ' 492' ' ' ASN . 19.3 tpp180 -79.73 -40.49 28.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.238 0.542 . . . . 10.0 109.859 179.35 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 3.1 mp -97.15 127.7 49.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.429 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.872 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.549 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 23.3 ptt? . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 110.252 -0.277 . . . . 10.0 110.252 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -104.69 136.37 44.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.593 0.235 . . . . 10.0 110.941 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.5 pt -126.54 158.44 36.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 178.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -118.5 112.73 20.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.746 0.308 . . . . 10.0 111.201 -179.131 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.8 t -101.74 118.37 48.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.175 -0.466 . . . . 10.0 109.906 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -102.67 135.17 44.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.876 0.369 . . . . 10.0 111.033 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.7 p -101.41 174.61 5.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.674 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.7 mt -73.13 -13.48 61.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.979 0.419 . . . . 10.0 110.887 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 m -87.6 -14.02 41.24 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.107 0.48 . . . . 10.0 110.876 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.72 -13.7 53.53 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.964 -0.636 . . . . 10.0 111.777 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -65.39 121.42 14.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.948 0.404 . . . . 10.0 110.736 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.3 m -103.15 108.6 19.85 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.201 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.2 mt -91.09 126.74 43.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.166 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.6 m -98.32 110.36 22.96 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.697 -0.483 . . . . 10.0 109.697 179.076 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.8 mt -110.07 149.43 30.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.018 0.437 . . . . 10.0 111.274 -179.045 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -107.4 108.23 19.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.738 -0.664 . . . . 10.0 109.83 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.549 ' O ' ' HG2' ' A' ' 1' ' ' MET . 12.8 m -136.04 -176.98 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.919 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.528 ' O ' HD12 ' A' ' 56' ' ' LEU . 20.0 mm-40 -131.36 153.57 81.67 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 109.066 -0.716 . . . . 10.0 109.066 179.163 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -53.06 -27.88 38.28 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.542 2.161 . . . . 10.0 112.751 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -80.57 7.45 9.98 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.975 -179.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -89.66 150.75 22.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.773 0.32 . . . . 10.0 110.789 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -90.76 148.04 22.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.13 -0.487 . . . . 10.0 110.736 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 51.6 mm -57.44 -39.22 67.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.035 0.445 . . . . 10.0 110.488 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -60.71 -39.18 87.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.64 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -69.86 -38.0 76.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.35 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.4 t -61.88 -43.38 97.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 10.0 109.885 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -63.62 -35.62 81.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.512 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.33 -28.0 68.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.508 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -78.2 -28.69 48.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.844 -0.616 . . . . 10.0 109.819 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 75.0 mt -71.51 -33.99 51.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.031 -0.729 . . . . 10.0 109.031 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -70.64 -27.21 63.88 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.067 178.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -68.08 -36.22 79.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.025 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -88.03 -67.44 0.83 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.338 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -71.08 -59.14 2.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.304 -178.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.09 -4.47 11.35 Favored Glycine 0 C--O 1.229 -0.186 0 C-N-CA 120.878 -0.677 . . . . 10.0 112.149 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 24.1 mt -69.09 126.24 92.6 Favored Pre-proline 0 C--N 1.327 -0.396 0 N-CA-C 110.368 -0.234 . . . . 10.0 110.368 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.454 ' HB2' ' OD1' ' A' ' 39' ' ' ASP . 32.5 Cg_exo -57.27 145.24 88.24 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.657 2.238 . . . . 10.0 112.054 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 24.3 Cg_exo -61.91 -20.66 70.2 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.853 2.369 . . . . 10.0 113.243 -179.069 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.454 ' OD1' ' HB2' ' A' ' 37' ' ' PRO . 24.8 p30 -85.56 -12.08 52.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.906 0.384 . . . . 10.0 110.942 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -106.9 8.23 30.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.977 -0.556 . . . . 10.0 109.897 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 37' ' ' PRO . 77.3 mt-30 -104.12 125.6 50.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.451 -0.795 . . . . 10.0 110.687 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -120.5 95.37 4.7 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 178.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 mt -85.58 132.5 34.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.174 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 86.8 mt -124.44 135.2 64.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.107 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.528 ' HB3' HD21 ' A' ' 50' ' ' LEU . 87.8 t80 -138.0 125.14 21.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.383 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.77 29.03 18.16 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.026 -0.534 . . . . 10.0 112.078 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.5 3.01 86.91 Favored Glycine 0 C--N 1.329 0.167 0 C-N-CA 120.606 -0.807 . . . . 10.0 113.033 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -116.53 146.28 42.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.774 0.321 . . . . 10.0 110.457 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -84.96 138.34 32.54 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.748 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.528 HD21 ' HB3' ' A' ' 45' ' ' PHE . 31.9 mt -86.56 141.42 29.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.957 0.408 . . . . 10.0 111.113 -179.449 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.441 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 5.4 mt-10 -99.84 149.12 23.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.901 -0.59 . . . . 10.0 109.888 179.342 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.88 -43.01 99.72 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.028 0.751 . . . . 10.0 113.028 -178.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 30.83 3.15 Favored Glycine 0 CA--C 1.516 0.155 0 C-N-CA 120.828 -0.701 . . . . 10.0 113.748 -178.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.441 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 22.5 mmt180 -121.35 159.69 25.57 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.806 0.336 . . . . 10.0 110.531 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.426 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 15.7 p -106.03 165.91 10.87 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.49 178.764 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.528 HD12 ' O ' ' A' ' 18' ' ' GLU . 94.2 mt -65.08 -33.88 77.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.91 0.386 . . . . 10.0 110.205 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.32 -20.64 63.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.286 179.609 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 55' ' ' THR . 14.7 m-20 -65.41 -37.66 87.61 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.009 0.433 . . . . 10.0 110.475 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -98.09 9.96 41.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.563 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 56.9 t30 63.17 29.91 16.01 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.426 -0.806 . . . . 10.0 110.901 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 86.3 mt -74.56 125.09 33.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.815 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -119.83 -163.52 1.0 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.856 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.445 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 61.7 pttt -73.49 148.63 42.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.05 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 68.51 12.13 8.6 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.375 -0.83 . . . . 10.0 112.136 179.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.4 m -78.24 143.39 37.14 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 110.119 -0.326 . . . . 10.0 110.119 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 m -99.75 132.07 45.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.372 -0.377 . . . . 10.0 111.227 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -121.27 135.78 55.07 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 47.6 m80 -98.52 132.61 43.81 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.625 0.25 . . . . 10.0 110.601 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.9 tp -112.42 111.66 22.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.74 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.7 t -98.72 132.77 43.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.894 -0.593 . . . . 10.0 109.896 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 94.5 mt . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.266 -0.424 . . . . 10.0 111.023 -179.778 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.0 ptt? . . . . . 0 N--CA 1.477 0.896 0 N-CA-C 109.527 -0.545 . . . . 10.0 109.527 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -113.37 156.27 23.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.995 0.426 . . . . 10.0 111.19 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.1 pt -133.72 159.91 42.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.5 -0.773 . . . . 10.0 109.817 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -111.15 95.88 5.8 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.973 0.416 . . . . 10.0 110.791 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 40.2 t -81.75 107.29 13.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -101.19 143.41 31.31 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.728 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.3 p -116.18 163.84 15.37 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.583 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.477 HD23 ' HG3' ' D' ' 467' ' ' MET . 10.1 mt -61.89 -20.63 63.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.097 -0.501 . . . . 10.0 111.56 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.29 1.64 52.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.848 0.356 . . . . 10.0 111.63 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.7 23.89 61.38 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.854 -0.688 . . . . 10.0 113.378 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -102.39 121.36 42.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.907 0.353 . . . . 10.0 110.396 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.8 m -97.21 115.55 27.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.906 0.384 . . . . 10.0 110.105 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 mt -109.27 135.24 48.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 120.804 0.335 . . . . 10.0 111.069 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.97 137.58 51.51 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.103 -0.499 . . . . 10.0 109.809 178.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.5 mt -145.34 148.55 33.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.773 0.321 . . . . 10.0 110.962 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -72.11 123.23 22.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.103 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.439 ' HB ' HD11 ' B' ' 56' ' ' LEU . 3.4 m -136.49 142.09 39.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.963 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.577 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 7.8 mm-40 -103.44 162.53 19.73 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 115.879 -0.601 . . . . 10.0 109.901 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -60.19 -32.34 94.32 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 121.959 1.773 . . . . 10.0 111.573 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.48 10.51 27.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.534 -0.757 . . . . 10.0 111.81 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.577 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.3 OUTLIER -74.82 112.44 11.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.578 -0.283 . . . . 10.0 110.31 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.44 145.47 49.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.397 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.4 mm -53.66 -34.95 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.922 0.392 . . . . 10.0 110.661 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -61.07 -36.28 79.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.731 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.435 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 64.4 t30 -77.35 -36.23 53.96 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.781 -0.452 . . . . 10.0 109.781 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.2 t -60.82 -44.99 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.163 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -63.06 -29.03 70.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.842 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.26 -35.01 71.24 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.024 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 40.7 mttt -69.24 -35.16 75.84 Favored 'General case' 0 C--N 1.334 -0.073 0 CA-C-N 116.022 -0.535 . . . . 10.0 109.894 179.163 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 78.7 mt -66.12 -39.17 83.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.792 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -69.84 -23.99 63.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.228 0.537 . . . . 10.0 109.922 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -69.68 -35.18 74.91 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.267 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -93.28 -52.34 4.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.979 -0.555 . . . . 10.0 112.242 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -80.77 -45.17 17.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.911 0.386 . . . . 10.0 111.897 -178.159 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.53 -18.46 38.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.813 -0.708 . . . . 10.0 112.001 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 74.0 mt -64.13 124.03 84.1 Favored Pre-proline 0 C--N 1.329 -0.325 0 C-N-CA 122.219 0.208 . . . . 10.0 110.524 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 52.7 Cg_exo -54.0 140.35 69.66 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.846 2.364 . . . . 10.0 112.501 179.662 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 41.4 Cg_exo -58.16 -23.71 62.96 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.983 2.455 . . . . 10.0 112.862 -179.674 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -67.27 -26.38 66.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.125 0.488 . . . . 10.0 111.146 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -97.69 6.73 47.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.504 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -100.49 113.42 26.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.262 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.48 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 15.5 ttt180 -109.8 104.67 13.66 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.938 -0.764 . . . . 10.0 108.938 178.741 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 11.1 mt -89.9 128.63 36.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.458 -177.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -125.81 134.35 66.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.402 -0.817 . . . . 10.0 110.56 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.431 ' HB3' HD21 ' B' ' 50' ' ' LEU . 38.7 t80 -129.44 123.59 31.97 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.996 -0.742 . . . . 10.0 108.996 178.54 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.35 23.56 13.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.848 -0.614 . . . . 10.0 111.367 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.06 10.85 65.82 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.854 -0.688 . . . . 10.0 113.45 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -125.42 152.1 45.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 117.042 0.421 . . . . 10.0 110.954 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -78.69 148.7 33.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.436 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.431 HD21 ' HB3' ' B' ' 45' ' ' PHE . 33.5 mt -105.85 143.01 34.6 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.792 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.431 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 16.1 mt-10 -85.49 143.99 28.21 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 178.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.23 -38.3 79.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.772 0.32 . . . . 10.0 111.813 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.08 46.32 3.06 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 121.022 -0.608 . . . . 10.0 113.048 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.431 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 21.8 mmt180 -128.4 158.09 39.25 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.366 -0.235 . . . . 10.0 110.366 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 7.1 p -108.28 168.91 8.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.319 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.439 HD11 ' HB ' ' B' ' 17' ' ' VAL . 85.4 mt -65.22 -40.22 93.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.05 0.453 . . . . 10.0 111.106 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.39 -16.39 62.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.685 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -68.3 -36.85 79.97 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.053 0.454 . . . . 10.0 110.601 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -100.25 14.66 30.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.052 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 64.9 t30 57.12 47.5 17.14 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.158 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.0 mt -82.4 116.57 26.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -91.74 -178.36 5.03 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.472 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -76.06 150.64 37.28 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.261 -0.274 . . . . 10.0 110.261 179.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 62.14 35.12 15.86 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 123.564 0.54 . . . . 10.0 111.502 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 26.6 m -96.53 147.28 24.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.938 0.399 . . . . 10.0 110.813 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 49.0 m -87.27 129.04 35.14 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.789 -0.641 . . . . 10.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 4.2 mp -110.82 123.96 51.1 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.57 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 34.5 m80 -88.08 112.58 22.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.046 0.451 . . . . 10.0 111.045 -179.145 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 53.8 tp -100.69 96.79 7.57 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.045 -0.525 . . . . 10.0 109.906 179.184 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.48 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 89.0 t -77.31 127.01 38.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.249 -179.34 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 30.2 mt -90.07 141.22 28.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.679 -0.691 . . . . 10.0 109.69 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.434 0 CA-C-O 120.772 0.32 . . . . 10.0 111.008 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.593 0.235 . . . . 10.0 111.276 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -65.4 -40.46 93.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.888 0.375 . . . . 10.0 110.486 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 84.8 mt -68.75 -38.13 79.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.222 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -65.33 -47.86 75.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.922 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.25 -33.97 76.65 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.798 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 22.2 ttm -68.44 -39.04 81.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.247 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -66.23 -34.49 78.12 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.193 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -57.1 -35.53 69.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.542 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -65.21 -40.03 93.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.517 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 32.8 mt -77.33 -28.62 16.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.611 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -65.18 -26.98 68.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.082 0.467 . . . . 10.0 110.149 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -82.54 -23.71 34.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.784 -0.643 . . . . 10.0 110.269 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 467' ' ' MET . . . . . 0.57 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 27.4 mmm -86.08 -36.55 19.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.354 -0.839 . . . . 10.0 110.579 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 468' ' ' PHE . . . . . 0.446 ' O ' HG12 ' D' ' 471' ' ' VAL . 8.8 m-85 -126.72 80.8 69.91 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.389 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -76.78 32.46 0.42 Allowed 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 122.609 2.206 . . . . 10.0 112.744 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -134.27 10.12 3.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.029 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 471' ' ' VAL . . . . . 0.446 HG12 ' O ' ' D' ' 468' ' ' PHE . 13.9 p -122.18 135.6 25.59 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.359 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 472' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -58.25 135.08 65.85 Favored 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 122.677 2.251 . . . . 10.0 112.713 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -56.12 -41.48 75.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.506 -0.77 . . . . 10.0 112.542 -178.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 40.2 p-80 -64.46 -30.89 71.92 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.689 0.255 . . . . 10.0 111.689 -178.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 475' ' ' LEU . . . . . 0.404 ' O ' ' HB3' ' D' ' 478' ' ' GLN . 31.0 mt -74.78 -32.84 62.14 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.753 0.311 . . . . 10.0 110.476 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 34.8 t -68.73 -42.76 83.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 108.951 -0.759 . . . . 10.0 108.951 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 2.3 mt -66.03 -22.5 66.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.364 -0.835 . . . . 10.0 110.93 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 478' ' ' GLN . . . . . 0.404 ' HB3' ' O ' ' D' ' 475' ' ' LEU . 32.0 tt0 -65.65 -50.76 63.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.288 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 479' ' ' ASP . . . . . 0.561 ' HB3' HG23 ' D' ' 489' ' ' THR . 14.7 t70 -69.47 -32.81 71.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.222 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 480' ' ' LEU . . . . . 0.568 ' O ' ' HG3' ' D' ' 484' ' ' ARG . 0.3 OUTLIER -61.35 -22.33 64.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.824 179.255 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -91.81 4.47 52.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.143 -0.481 . . . . 10.0 111.021 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.14 -48.27 1.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.809 0.337 . . . . 10.0 110.853 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 67.7 p -93.5 -42.89 8.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.476 -0.329 . . . . 10.0 111.196 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 484' ' ' ARG . . . . . 0.568 ' HG3' ' O ' ' D' ' 480' ' ' LEU . 1.8 mpt_? 64.74 35.78 8.55 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.782 -0.645 . . . . 10.0 111.294 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 4.0 t -151.53 129.67 11.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.78 0.324 . . . . 10.0 110.988 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 35.1 m -68.37 -26.11 32.97 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-O 121.038 0.447 . . . . 10.0 110.465 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -74.23 -5.35 41.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.741 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 40.7 mt -117.0 -51.81 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.857 179.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 489' ' ' THR . . . . . 0.561 HG23 ' HB3' ' D' ' 479' ' ' ASP . 46.0 m -52.98 -48.33 67.54 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.675 0.62 . . . . 10.0 112.675 -179.169 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 1.4 m -60.98 -41.93 97.37 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.675 0.25 . . . . 10.0 111.675 -178.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -71.1 -36.74 72.31 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -56.32 -40.26 74.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.237 -0.892 . . . . 10.0 110.641 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 493' ' ' ILE . . . . . 0.445 HG13 ' O ' ' D' ' 489' ' ' THR . 75.4 mt -66.46 -40.97 87.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.775 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 12.3 mt -65.9 -38.09 87.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.486 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -73.02 -43.97 61.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.1 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 124.47 32.03 0.86 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.561 -0.828 . . . . 10.0 112.139 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -84.27 -28.8 26.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.438 0.637 . . . . 10.0 109.465 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 3.7 mp -108.27 136.36 44.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.189 -0.914 . . . . 10.0 109.325 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 . . . . . 0 C--N 1.328 -0.353 0 O-C-N 123.328 0.393 . . . . 10.0 111.045 -179.792 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 120.801 0.334 . . . . 10.0 110.214 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -104.05 142.56 34.24 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.553 -0.294 . . . . 10.0 110.956 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.4 pt -132.75 166.17 30.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.508 -0.552 . . . . 10.0 109.508 178.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.494 ' O ' ' HA ' ' A' ' 66' ' ' THR . 43.1 m-85 -120.87 131.41 54.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.562 0.22 . . . . 10.0 110.565 -179.262 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 63.2 t -115.83 124.33 72.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.97 -0.382 . . . . 10.0 109.97 179.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.1 tttp -104.27 129.59 52.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.99 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.71 167.36 11.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.093 -0.503 . . . . 10.0 109.99 179.299 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.9 mt -60.36 -27.6 67.52 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 111.847 0.314 . . . . 10.0 111.847 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.6 p -77.01 -14.28 59.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.95 0.405 . . . . 10.0 111.563 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.44 -9.84 42.04 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.925 -0.655 . . . . 10.0 111.712 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -62.69 139.9 58.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.676 0.274 . . . . 10.0 110.846 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -120.83 117.85 28.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.519 -0.309 . . . . 10.0 110.296 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mp -108.54 134.43 50.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.585 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.97 137.26 32.5 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.789 -0.449 . . . . 10.0 109.789 179.054 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.445 HD11 HG12 ' A' ' 30' ' ' ILE . 92.8 mt -133.74 142.8 48.11 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.994 0.426 . . . . 10.0 111.52 -179.553 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -98.33 112.41 24.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.628 -0.714 . . . . 10.0 109.263 178.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.6 m -138.05 -175.56 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.912 -0.585 . . . . 10.0 109.852 -179.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.502 ' O ' HD12 ' A' ' 56' ' ' LEU . 7.2 mm-40 -139.55 154.04 71.04 Favored Pre-proline 0 C--N 1.316 -0.864 0 N-CA-C 108.754 -0.832 . . . . 10.0 108.754 178.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.0 -29.96 56.98 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.01 1.807 . . . . 10.0 112.338 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 p -83.57 -0.34 49.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.849 -0.614 . . . . 10.0 112.158 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -76.5 142.46 40.9 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.018 0.437 . . . . 10.0 110.571 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.4 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -83.21 146.66 28.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.55 179.639 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.584 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 46.3 mm -56.81 -42.58 78.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.859 0.361 . . . . 10.0 110.298 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -62.1 -35.8 79.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.896 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -67.28 -32.8 74.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.05 0.452 . . . . 10.0 109.795 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 22' ' ' THR . 53.8 t -69.78 -34.94 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.403 178.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 10.3 mmmm -59.66 -39.35 84.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.609 179.146 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.9 -33.48 75.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.511 -0.768 . . . . 10.0 110.605 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -70.51 -40.89 73.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.815 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.445 HG12 HD11 ' A' ' 15' ' ' LEU . 71.4 mt -67.66 -39.4 82.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.932 -0.576 . . . . 10.0 109.604 178.651 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -62.41 -36.0 80.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.584 -0.735 . . . . 10.0 111.214 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.1 -33.41 75.95 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.479 -0.328 . . . . 10.0 111.66 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -92.67 -55.29 3.43 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.163 0.431 . . . . 10.0 112.163 -178.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -72.26 -32.25 66.5 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.441 0.534 . . . . 10.0 112.441 -178.118 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.63 9.84 84.13 Favored Glycine 0 C--O 1.229 -0.188 0 C-N-CA 120.482 -0.866 . . . . 10.0 111.362 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.4 mt -95.1 128.27 39.53 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.51 -0.345 . . . . 10.0 110.252 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.17 145.59 53.45 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.679 2.253 . . . . 10.0 112.357 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.41 -22.64 59.61 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.038 2.492 . . . . 10.0 112.585 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -70.19 -31.02 68.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.727 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -89.56 -8.86 51.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.899 -0.591 . . . . 10.0 111.329 -179.147 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.4 ' HB2' ' CE ' ' A' ' 27' ' ' LYS . 78.6 mt-30 -88.41 105.54 17.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.389 -179.307 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.409 ' HB3' ' HB ' ' A' ' 70' ' ' VAL . 11.3 ttt180 -105.22 98.25 7.98 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.198 -0.667 . . . . 10.0 109.198 178.45 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.423 ' HB3' HD12 ' A' ' 50' ' ' LEU . 29.7 mt -84.12 131.45 34.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.829 -179.094 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 83.4 mt -132.24 135.04 58.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.666 -0.697 . . . . 10.0 109.977 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.482 ' HB3' HD21 ' A' ' 50' ' ' LEU . 70.7 t80 -138.38 126.09 22.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.334 -0.394 . . . . 10.0 109.954 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.01 26.89 16.24 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.489 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.55 -2.88 87.83 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 116.012 -0.54 . . . . 10.0 112.65 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -103.61 138.7 39.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.77 0.319 . . . . 10.0 110.588 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -78.72 133.09 37.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.21 -0.45 . . . . 10.0 109.811 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.482 HD21 ' HB3' ' A' ' 45' ' ' PHE . 25.6 mt -88.85 119.13 29.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.993 0.425 . . . . 10.0 111.209 -179.132 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.69 136.81 36.25 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.331 179.002 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.3 -33.27 67.51 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.519 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.48 48.41 3.56 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.98 -0.628 . . . . 10.0 112.892 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.9 mmt-85 -144.42 170.61 15.69 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.7 p -113.81 167.6 10.5 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.91 -0.404 . . . . 10.0 109.91 178.418 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.502 HD12 ' O ' ' A' ' 18' ' ' GLU . 57.1 mt -64.58 -33.64 76.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.045 0.45 . . . . 10.0 110.412 179.622 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -27.7 69.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.645 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -65.82 -38.71 89.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.722 -178.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -96.77 9.5 41.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.536 -0.302 . . . . 10.0 111.102 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 61.0 36.21 18.69 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.794 0.684 . . . . 10.0 110.899 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 83.3 mt -78.69 107.1 10.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.175 0.512 . . . . 10.0 110.283 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -86.87 -175.01 5.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.464 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -76.5 153.5 35.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.739 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 60.34 32.54 20.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.762 -0.654 . . . . 10.0 112.189 179.293 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.6 m -95.42 144.13 26.19 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.966 -0.383 . . . . 10.0 109.966 178.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.494 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 53.4 m -98.33 121.44 40.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.972 0.415 . . . . 10.0 110.868 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.0 mp -104.85 149.14 25.92 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.188 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -98.35 134.93 40.67 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.144 -0.317 . . . . 10.0 110.144 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.3 tp -119.64 109.41 15.64 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.992 0.425 . . . . 10.0 110.688 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.409 ' HB ' ' HB3' ' A' ' 42' ' ' ARG . 15.5 t -100.1 143.05 14.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.028 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.5 mt . . . . . 0 C--N 1.325 -0.477 0 N-CA-C 110.139 -0.319 . . . . 10.0 110.139 179.846 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 110.136 -0.32 . . . . 10.0 110.136 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -114.75 137.41 51.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.632 0.253 . . . . 10.0 111.017 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 25.2 pt -127.29 161.75 33.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.425 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -113.28 125.91 54.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 43.0 t -110.81 122.33 65.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.44 ' HD3' ' SD ' ' D' ' 467' ' ' MET . 19.0 tttp -104.69 144.01 32.3 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.861 -179.509 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.2 p -119.1 169.08 10.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.694 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.404 HD21 ' CG2' ' D' ' 490' ' ' THR . 60.9 mt -65.4 -22.02 66.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.825 -179.516 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.6 p -80.25 -10.32 59.75 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.974 0.416 . . . . 10.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.79 -6.6 62.6 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.045 -0.597 . . . . 10.0 112.305 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -69.15 126.84 31.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.888 0.375 . . . . 10.0 110.835 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.86 110.66 22.49 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.749 179.29 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.4 mt -104.51 142.01 18.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.497 -0.32 . . . . 10.0 111.083 -178.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -106.75 129.25 54.66 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 178.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 94.4 mt -126.8 142.28 51.59 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.172 0.51 . . . . 10.0 111.98 -178.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -85.25 115.15 22.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.303 -0.862 . . . . 10.0 109.786 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 17.1 m -135.46 176.13 9.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.35 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.462 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 6.6 mm-40 -138.84 162.35 53.21 Favored Pre-proline 0 C--N 1.316 -0.856 0 N-CA-C 108.923 -0.769 . . . . 10.0 108.923 179.077 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.516 ' O ' ' HB ' ' B' ' 55' ' ' THR . 50.5 Cg_exo -54.43 -35.87 86.15 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.084 1.856 . . . . 10.0 112.552 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.88 -7.53 58.02 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.339 0.496 . . . . 10.0 112.339 -179.384 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.8 OUTLIER -66.29 122.67 18.02 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 110.07 -0.345 . . . . 10.0 110.07 -179.546 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.8 143.72 41.74 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.043 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 48.3 mm -52.88 -36.71 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 O-C-N 123.291 0.37 . . . . 10.0 111.365 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -62.68 -43.81 97.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.966 0.412 . . . . 10.0 110.672 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.472 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 63.2 t30 -63.46 -36.04 82.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.61 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 41.5 t -61.5 -41.85 91.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.066 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -66.8 -32.3 73.49 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.33 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.96 -35.21 80.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.257 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 26.7 mttt -66.52 -38.16 86.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.703 178.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 62.4 mt -69.14 -33.48 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.587 -0.733 . . . . 10.0 109.949 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -66.84 -31.93 72.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.878 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -82.34 -38.76 23.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.797 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -73.0 -53.63 10.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.88 -0.6 . . . . 10.0 112.425 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -93.65 -46.9 7.05 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.765 0.283 . . . . 10.0 111.765 -178.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.33 -3.13 25.16 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.529 -0.843 . . . . 10.0 111.906 -179.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 64.1 mt -72.36 127.34 90.31 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.636 -0.282 . . . . 10.0 110.272 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -57.91 141.97 96.25 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.537 2.158 . . . . 10.0 112.001 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -59.82 -26.33 81.93 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.389 2.06 . . . . 10.0 111.997 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -66.17 -19.74 65.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.544 -0.753 . . . . 10.0 111.395 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -108.36 11.6 26.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.881 0.372 . . . . 10.0 110.759 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -106.93 106.55 17.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.337 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.408 ' O ' ' HB ' ' B' ' 70' ' ' VAL . 53.4 mtp180 -108.54 100.14 9.44 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.956 -0.757 . . . . 10.0 108.956 178.132 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 15.9 mt -79.35 121.74 25.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.054 0.454 . . . . 10.0 111.461 -178.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -117.83 133.34 64.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.452 -0.794 . . . . 10.0 110.202 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.61 ' HB3' HD21 ' B' ' 50' ' ' LEU . 81.8 t80 -132.45 120.74 22.36 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.11 -0.7 . . . . 10.0 109.11 178.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.25 16.48 10.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.766 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.16 -3.59 55.12 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 120.814 -0.707 . . . . 10.0 113.604 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' B' ' 45' ' ' PHE . 9.9 ptmt -117.26 156.37 27.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 117.185 0.492 . . . . 10.0 110.849 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -86.63 146.38 26.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.709 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.61 HD21 ' HB3' ' B' ' 45' ' ' PHE . 19.7 mt -97.62 132.88 42.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.364 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.486 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 36.1 mt-10 -81.91 149.88 28.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.115 179.513 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.14 -35.37 80.3 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.037 0.384 . . . . 10.0 112.037 -178.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.71 28.89 3.42 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 120.916 -0.659 . . . . 10.0 113.512 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.486 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 16.4 mmt180 -128.16 164.72 21.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 117.165 0.483 . . . . 10.0 110.143 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.516 ' HB ' ' O ' ' B' ' 19' ' ' PRO . 11.9 p -111.36 169.59 8.69 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.048 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 21.7 mt -67.25 -33.85 76.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.921 0.391 . . . . 10.0 111.261 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -22.04 63.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.403 -0.362 . . . . 10.0 111.27 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -63.45 -45.47 90.71 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 121.009 0.433 . . . . 10.0 110.957 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -87.28 15.31 6.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.38 -179.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 t30 59.84 40.19 19.65 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.379 0.609 . . . . 10.0 110.921 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 61.9 mt -93.24 128.49 44.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.771 -0.65 . . . . 10.0 110.031 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -118.65 -164.69 1.05 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.3 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -73.03 156.92 38.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.685 -0.234 . . . . 10.0 110.756 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 68.5 9.94 7.58 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.75 0.657 . . . . 10.0 112.119 178.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 14.8 m -82.77 147.73 28.24 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.304 -0.258 . . . . 10.0 110.304 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.0 m -106.15 128.66 54.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.47 -0.332 . . . . 10.0 111.159 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -108.16 135.62 49.19 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.822 -0.626 . . . . 10.0 109.468 179.309 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.476 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 33.5 m80 -89.96 113.66 25.35 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.872 -179.426 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 49.0 tp -91.18 90.92 8.0 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.693 -0.484 . . . . 10.0 109.693 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.833 HG13 ' HB ' ' D' ' 490' ' ' THR . 25.2 t -76.37 113.35 15.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.035 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 51.5 mt -81.96 138.59 34.92 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.888 -0.782 . . . . 10.0 108.888 178.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.318 -0.763 0 CA-C-O 121.033 0.444 . . . . 10.0 111.349 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 121.015 0.436 . . . . 10.0 110.888 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -67.79 -36.68 80.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.679 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 70.9 mt -66.18 -40.79 90.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.463 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -61.55 -48.43 81.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.627 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.74 -44.18 94.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.692 -0.686 . . . . 10.0 111.263 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 56.8 mtm -64.59 -34.65 78.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.969 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.87 -38.79 92.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.948 0.404 . . . . 10.0 110.108 179.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -62.03 -37.69 85.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.94 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -58.74 -45.71 89.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.521 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 464' ' ' ILE . . . . . 0.548 HD11 HG12 ' D' ' 486' ' ' VAL . 40.7 mt -72.34 -32.08 41.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.72 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 50.8 tp60 -60.83 -36.01 77.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.007 0.432 . . . . 10.0 110.782 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -81.31 -7.69 59.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.718 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 467' ' ' MET . . . . . 0.476 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 86.3 mmm -99.22 -32.47 11.2 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.311 0.577 . . . . 10.0 110.174 179.491 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 468' ' ' PHE . . . . . 0.437 ' O ' HG12 ' D' ' 471' ' ' VAL . 2.3 m-85 -129.11 84.93 61.26 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.948 -0.569 . . . . 10.0 109.982 179.156 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.06 37.29 0.58 Allowed 'Trans proline' 0 CA--C 1.531 0.332 0 C-N-CA 122.584 2.189 . . . . 10.0 113.194 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -140.37 12.53 2.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.929 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 471' ' ' VAL . . . . . 0.437 HG12 ' O ' ' D' ' 468' ' ' PHE . 9.4 p -125.04 133.81 25.15 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.51 -0.313 . . . . 10.0 110.43 -179.545 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 472' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.53 136.4 67.15 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.785 2.323 . . . . 10.0 112.406 179.02 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -55.59 -42.61 75.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.844 -0.616 . . . . 10.0 112.294 -178.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 34.8 p-80 -66.06 -27.99 68.5 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.133 -0.227 . . . . 10.0 111.584 -179.156 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 14.2 mt -74.88 -34.99 62.3 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.803 -0.443 . . . . 10.0 109.803 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 48.2 t -67.86 -43.01 86.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.389 0.614 . . . . 10.0 109.665 178.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 477' ' ' LEU . . . . . 0.451 ' O ' ' HG3' ' D' ' 481' ' ' GLN . 9.4 mt -62.38 -26.58 68.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.337 -0.847 . . . . 10.0 111.03 179.522 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -67.46 -48.7 66.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.403 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -63.75 -38.07 89.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.464 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -59.63 -19.7 50.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.739 -0.664 . . . . 10.0 112.116 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 481' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' D' ' 477' ' ' LEU . 74.9 mt-30 -86.8 -18.94 29.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.52 0.2 . . . . 10.0 110.967 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -102.68 -45.94 4.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.515 -0.311 . . . . 10.0 111.375 -179.149 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 65.3 p -85.48 -49.91 7.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.72 0.295 . . . . 10.0 111.07 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 484' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' D' ' 484' ' ' ARG . 33.2 mtt180 68.56 19.03 8.8 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.271 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 2.7 m -141.14 116.37 10.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.555 -0.748 . . . . 10.0 109.58 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 486' ' ' VAL . . . . . 0.548 HG12 HD11 ' D' ' 464' ' ' ILE . 16.9 m -58.73 -28.87 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 112.273 0.471 . . . . 10.0 112.273 -178.744 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -66.1 -19.36 65.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.329 . . . . 10.0 111.742 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 23.0 mt -95.53 -38.56 8.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.668 0.271 . . . . 10.0 110.57 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 6.8 m -57.68 -41.31 81.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.914 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 490' ' ' THR . . . . . 0.833 ' HB ' HG13 ' B' ' 70' ' ' VAL . 0.2 OUTLIER -59.82 -50.0 75.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.877 0.37 . . . . 10.0 111.34 -179.861 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 491' ' ' ASP . . . . . 0.561 ' O ' ' HG2' ' D' ' 495' ' ' GLU . 2.6 t70 -66.2 -39.79 89.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.82 -0.627 . . . . 10.0 109.994 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -54.23 -41.41 68.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.5 -0.773 . . . . 10.0 111.437 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 98.3 mt -66.85 -44.36 89.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.294 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 1.9 mt -66.17 -37.6 86.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.394 -0.367 . . . . 10.0 111.671 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 495' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' D' ' 491' ' ' ASP . 40.3 mm-40 -70.74 -59.23 2.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.906 0.384 . . . . 10.0 110.753 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 145.28 26.1 0.1 Allowed Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.274 -0.965 . . . . 10.0 112.979 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -76.79 -39.23 52.21 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 39.4 mt -107.87 109.74 29.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.288 179.325 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.354 -179.142 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.465 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 22.2 ptt? . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 109.996 -0.372 . . . . 10.0 109.996 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -101.82 138.31 38.96 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.913 0.387 . . . . 10.0 111.998 -178.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.1 pt -123.7 161.35 26.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.017 -0.734 . . . . 10.0 109.017 178.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.463 ' O ' ' HA ' ' A' ' 66' ' ' THR . 95.3 m-85 -117.93 113.03 21.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.983 0.42 . . . . 10.0 111.282 -178.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.2 t -103.74 122.62 56.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.756 -0.461 . . . . 10.0 109.756 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -101.6 131.69 47.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.066 0.46 . . . . 10.0 111.599 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.2 164.54 14.93 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.892 179.209 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.472 HD11 ' H ' ' A' ' 71' ' ' LEU . 65.4 mt -63.74 -26.61 68.73 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.902 0.334 . . . . 10.0 111.902 -179.424 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.55 -13.41 60.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.732 0.301 . . . . 10.0 111.602 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.09 -7.83 35.57 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.845 -0.693 . . . . 10.0 112.242 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -69.28 148.2 50.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.854 0.359 . . . . 10.0 111.042 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -119.35 129.87 55.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.154 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.4 mt -113.12 134.66 55.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.995 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.77 125.27 45.65 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.394 179.228 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.6 mt -123.72 139.79 53.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.992 0.425 . . . . 10.0 111.405 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -97.48 103.14 15.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.476 -0.784 . . . . 10.0 108.986 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.465 ' O ' ' HG2' ' A' ' 1' ' ' MET . 15.6 m -132.27 174.63 12.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.358 -178.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.48 ' O ' HD12 ' A' ' 56' ' ' LEU . 74.4 mm-40 -128.78 156.12 78.2 Favored Pre-proline 0 C--N 1.32 -0.696 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 179.123 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -49.86 -38.28 47.39 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 122.804 2.336 . . . . 10.0 113.684 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 m -83.4 12.42 5.52 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.443 0.534 . . . . 10.0 112.443 -179.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 5.1 t0 -81.4 142.24 33.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.9 0.381 . . . . 10.0 110.309 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.29 144.08 30.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.944 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 54' ' ' ARG . 47.6 mm -58.7 -41.57 82.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.795 0.331 . . . . 10.0 110.439 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -58.35 -36.84 74.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.428 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.472 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 64.9 t30 -68.01 -38.73 82.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.992 179.505 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.0 t -63.37 -41.19 91.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.941 179.111 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -60.15 -39.94 88.12 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.065 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.18 -37.83 88.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.573 -0.74 . . . . 10.0 110.582 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 86.0 mttt -64.94 -34.96 79.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.34 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 79.6 mt -70.1 -39.46 77.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 116.152 -0.476 . . . . 10.0 109.981 178.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -63.57 -41.06 98.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.647 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -64.1 -26.67 68.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.359 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -91.84 -61.52 1.61 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.708 0.632 . . . . 10.0 112.708 -179.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -86.34 -22.27 26.79 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.442 0.904 . . . . 10.0 113.442 -177.157 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.57 46.26 7.45 Favored Glycine 0 C--N 1.324 -0.123 0 C-N-CA 120.455 -0.878 . . . . 10.0 112.244 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.0 mt -118.96 123.96 28.61 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 110.208 -0.293 . . . . 10.0 110.208 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.402 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 73.8 Cg_exo -49.75 131.0 28.13 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.885 2.39 . . . . 10.0 112.175 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 50.6 Cg_exo -53.94 -37.73 85.92 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.099 2.533 . . . . 10.0 112.919 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.37 -15.03 63.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.999 0.428 . . . . 10.0 111.48 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -100.27 -4.03 30.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.076 -179.187 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -91.72 132.34 36.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.179 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -122.32 96.18 4.94 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 178.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 69.9 mt -87.62 117.38 26.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.699 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mp -119.07 132.3 69.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.381 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -129.42 119.61 24.11 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.721 -0.672 . . . . 10.0 109.436 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.95 36.08 12.87 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.307 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.2 0.02 85.08 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.998 -0.62 . . . . 10.0 113.686 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -118.15 135.89 53.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 117.325 0.563 . . . . 10.0 110.872 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -76.7 144.77 39.14 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.0 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 44.9 mt -91.32 136.51 33.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.299 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -82.92 134.53 35.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.137 -0.483 . . . . 10.0 109.863 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -59.34 -37.69 78.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.949 -178.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.1 22.29 6.16 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 121.226 -0.511 . . . . 10.0 113.382 -178.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.408 ' O ' HG12 ' A' ' 23' ' ' ILE . 55.5 mmt-85 -124.41 169.85 11.43 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.075 0.437 . . . . 10.0 110.647 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.1 p -110.25 172.88 6.6 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.779 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 18' ' ' GLU . 90.3 mt -67.43 -32.52 73.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.067 0.46 . . . . 10.0 110.279 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.51 -22.95 65.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.734 -0.666 . . . . 10.0 111.173 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -66.02 -27.18 67.92 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.428 -179.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -112.5 10.42 19.67 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.22 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.7 t30 56.54 37.69 29.02 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.371 -0.831 . . . . 10.0 111.363 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 72.7 mt -74.72 116.85 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.07 -0.514 . . . . 10.0 109.734 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -97.17 -169.82 1.92 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.704 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -79.86 151.44 30.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.684 0.278 . . . . 10.0 111.38 -179.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 67.5 23.37 9.01 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.305 -0.861 . . . . 10.0 111.88 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.3 m -86.77 142.81 27.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.059 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 2.9 m -96.06 126.19 41.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.404 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -114.62 143.98 44.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.69 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -97.34 126.8 42.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.721 0.296 . . . . 10.0 110.648 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.8 tp -107.95 101.41 10.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.367 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.4 t -96.18 141.2 15.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.109 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.472 ' H ' HD11 ' A' ' 8' ' ' LEU . 92.2 mt . . . . . 0 C--N 1.325 -0.467 0 CA-C-O 121.03 0.443 . . . . 10.0 111.006 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.443 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 26.2 ptt? . . . . . 0 N--CA 1.483 1.2 0 N-CA-C 110.246 -0.279 . . . . 10.0 110.246 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -110.72 141.9 43.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.841 0.353 . . . . 10.0 110.624 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 24.8 pt -129.51 151.98 36.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.136 -0.483 . . . . 10.0 109.938 178.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -107.49 112.31 25.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.442 -0.344 . . . . 10.0 110.727 -179.463 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.7 t -101.17 121.08 51.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -106.5 141.61 37.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.751 0.31 . . . . 10.0 111.289 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.1 p -111.81 167.67 10.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.666 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.451 ' CD1' ' HA ' ' D' ' 487' ' ' GLU . 46.8 mt -70.12 -14.91 62.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.094 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.67 -12.89 59.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.227 0.537 . . . . 10.0 110.564 179.009 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.86 5.13 58.67 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.778 -0.646 . . . . 10.0 112.32 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -88.04 139.38 30.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.81 0.338 . . . . 10.0 110.868 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.3 m -115.03 118.99 34.97 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 mp -105.7 128.84 59.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.856 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.52 109.86 21.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.18 179.355 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.6 mt -103.46 156.07 18.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.107 0.479 . . . . 10.0 111.598 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -109.2 109.45 20.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.389 -0.823 . . . . 10.0 109.794 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.443 ' O ' ' HG2' ' B' ' 1' ' ' MET . 16.7 m -138.97 174.08 10.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.624 -179.455 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.518 ' O ' HD12 ' B' ' 56' ' ' LEU . 70.3 mm-40 -124.27 158.36 61.33 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 109.674 -0.491 . . . . 10.0 109.674 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -57.75 -22.38 52.78 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.281 1.987 . . . . 10.0 112.947 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -93.73 8.41 41.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.915 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -78.61 157.5 28.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.889 0.376 . . . . 10.0 110.342 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.5 145.9 29.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.496 -179.315 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.6 mm -54.91 -43.51 68.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.266 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -58.12 -35.09 70.96 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 121.051 0.453 . . . . 10.0 111.073 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -72.23 -38.24 68.99 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.703 -0.48 . . . . 10.0 109.703 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.4 t -62.81 -40.14 87.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.601 178.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -59.87 -39.63 85.92 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.855 178.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.42 -37.22 82.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.62 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.98 -38.0 87.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.177 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 79.0 mt -70.18 -32.06 49.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-O 121.333 0.587 . . . . 10.0 109.734 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -62.14 -40.64 96.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.541 -0.754 . . . . 10.0 110.899 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -74.36 -19.43 60.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.126 0.489 . . . . 10.0 110.876 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -84.1 -60.62 2.04 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.709 0.633 . . . . 10.0 112.709 -178.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -96.23 -15.66 21.87 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.604 0.594 . . . . 10.0 112.604 -177.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.96 31.5 53.03 Favored Glycine 0 C--O 1.229 -0.168 0 C-N-CA 120.623 -0.799 . . . . 10.0 112.253 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.6 mt -109.48 125.88 30.4 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 110.365 -0.235 . . . . 10.0 110.365 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.457 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 50.5 Cg_exo -54.22 140.97 71.48 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.704 2.269 . . . . 10.0 112.278 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 32.3 Cg_exo -58.09 -23.27 60.15 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.847 2.365 . . . . 10.0 112.787 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -70.27 -13.82 62.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.051 0.453 . . . . 10.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -107.94 -0.98 21.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.585 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -96.48 104.61 16.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.93 -178.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.405 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 35.0 mtp180 -104.77 97.27 7.18 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.871 -0.789 . . . . 10.0 108.871 177.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 41.6 mt -81.41 121.68 26.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.408 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -119.47 125.15 74.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.266 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.53 ' O ' ' HE3' ' B' ' 48' ' ' LYS . 77.2 t80 -110.21 106.6 16.09 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.688 -0.486 . . . . 10.0 109.688 178.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.52 44.02 21.81 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.912 -0.585 . . . . 10.0 112.193 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.01 8.07 84.54 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.846 -0.693 . . . . 10.0 113.974 178.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.53 ' HE3' ' O ' ' B' ' 45' ' ' PHE . 25.1 mtmt -124.2 124.52 42.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 117.304 0.552 . . . . 10.0 110.576 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.26 139.23 46.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.943 0.401 . . . . 10.0 110.344 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.483 HD21 ' HB3' ' B' ' 45' ' ' PHE . 17.3 mt -98.39 145.32 26.84 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.631 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.471 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 27.1 mt-10 -94.34 154.24 17.59 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -64.39 -44.25 91.92 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.102 0.408 . . . . 10.0 112.102 -178.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.17 47.91 3.81 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.97 -0.633 . . . . 10.0 112.951 -179.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.471 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 28.5 mmt180 -135.61 152.69 51.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 10.0 110.458 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.574 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 0.2 OUTLIER -94.45 157.84 15.83 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 178.899 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.518 HD12 ' O ' ' B' ' 18' ' ' GLU . 79.1 mt -63.51 -32.95 74.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.336 0.589 . . . . 10.0 110.046 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.95 -13.7 61.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.655 -0.702 . . . . 10.0 111.223 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.574 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.5 m-20 -67.01 -28.03 67.91 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.946 0.403 . . . . 10.0 110.703 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.401 ' HB2' HG13 ' B' ' 61' ' ' ILE . 81.9 m-85 -111.26 12.67 21.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.994 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 62.7 t30 61.31 35.25 18.16 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.438 -0.801 . . . . 10.0 111.016 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.401 HG13 ' HB2' ' B' ' 59' ' ' TYR . 77.6 mt -78.02 104.53 6.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.006 179.463 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -91.02 -162.04 0.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.454 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.06 153.43 28.79 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.018 -0.364 . . . . 10.0 110.018 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 65.53 33.6 8.54 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.616 0.572 . . . . 10.0 110.891 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 71.2 m -90.17 152.14 21.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.263 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.59 124.79 51.03 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.517 -179.437 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -117.05 131.5 56.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.642 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -92.42 118.32 30.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.002 -0.545 . . . . 10.0 109.605 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 54.9 tp -98.97 104.25 16.27 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.118 0.485 . . . . 10.0 110.657 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.405 ' HB ' ' HB2' ' B' ' 42' ' ' ARG . 94.0 t -90.3 108.61 19.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.949 -0.568 . . . . 10.0 109.954 179.063 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 86.2 mt -83.93 112.0 19.76 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.465 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.321 -0.639 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.123 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.53 0.19 0 CA-C-O 120.848 0.356 . . . . 10.0 111.536 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -76.69 -37.9 55.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.86 0.362 . . . . 10.0 110.987 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.56 -45.64 92.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.187 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -61.47 -41.8 97.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 10.0 110.913 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.63 -44.14 97.04 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.913 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 62.6 mtm -69.58 -37.77 77.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.754 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.24 -41.84 96.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.704 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -64.11 -33.01 74.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.33 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -62.71 -40.06 95.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.011 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 92.7 mt -72.38 -32.82 43.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.099 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -61.16 -32.76 72.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.753 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -74.4 -17.99 60.73 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 116.244 -0.434 . . . . 10.0 111.028 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 67.3 mmm -95.67 -42.06 8.58 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.986 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 468' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -132.5 97.97 17.11 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.101 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -86.35 17.69 1.71 Allowed 'Trans proline' 0 CA--C 1.532 0.393 0 C-N-CA 122.496 2.131 . . . . 10.0 112.465 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -103.11 -1.17 29.55 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.864 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 471' ' ' VAL . . . . . . . . . . . . . 7.7 p -114.33 128.23 26.03 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.328 -0.396 . . . . 10.0 110.575 -179.529 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 472' ' ' PRO . . . . . 0.436 ' O ' HG23 ' D' ' 476' ' ' VAL . 32.1 Cg_exo -58.43 138.56 86.49 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.824 2.35 . . . . 10.0 112.508 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -54.44 -41.33 69.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.671 -0.695 . . . . 10.0 112.482 -178.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 37.8 p-80 -66.15 -30.25 70.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.633 0.254 . . . . 10.0 111.427 -178.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 475' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' D' ' 475' ' ' LEU . 22.7 mt -76.75 -35.91 57.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.657 0.265 . . . . 10.0 110.594 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 476' ' ' VAL . . . . . 0.436 HG23 ' O ' ' D' ' 472' ' ' PRO . 40.8 t -62.56 -40.9 89.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.314 0.578 . . . . 10.0 109.551 178.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 477' ' ' LEU . . . . . 0.448 ' O ' ' HG3' ' D' ' 481' ' ' GLN . 51.2 mt -65.85 -30.52 71.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.379 -0.828 . . . . 10.0 110.969 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -63.38 -54.11 41.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.376 -0.375 . . . . 10.0 110.916 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 479' ' ' ASP . . . . . 0.515 ' HB3' HG23 ' D' ' 489' ' ' THR . 12.9 t70 -65.2 -34.65 78.88 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.817 0.342 . . . . 10.0 110.297 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.94 -28.34 66.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.122 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 481' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' D' ' 477' ' ' LEU . 58.3 mt-30 -82.81 -25.86 32.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.104 0.478 . . . . 10.0 110.338 179.201 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -83.58 -56.63 3.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.674 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 483' ' ' THR . . . . . 0.415 ' O ' ' HB2' ' D' ' 484' ' ' ARG . 61.9 p -87.61 -43.78 11.72 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.272 0.471 . . . . 10.0 112.272 -178.161 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 484' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' D' ' 483' ' ' THR . 8.9 mtm180 69.18 42.16 1.27 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.195 0.521 . . . . 10.0 110.789 -179.364 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 12.3 t -159.13 117.91 2.93 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.754 -0.657 . . . . 10.0 109.633 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 8.1 m -57.01 -37.59 55.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.66 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 487' ' ' GLU . . . . . 0.451 ' HA ' ' CD1' ' B' ' 8' ' ' LEU . 4.4 mp0 -61.42 -43.65 98.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.794 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 39.7 mt -74.14 -44.41 49.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.843 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 489' ' ' THR . . . . . 0.515 HG23 ' HB3' ' D' ' 479' ' ' ASP . 95.7 m -57.13 -49.91 74.45 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.361 0.504 . . . . 10.0 112.361 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 4.8 m -60.34 -43.76 96.14 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.192 -0.203 . . . . 10.0 111.42 -179.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -68.68 -37.8 79.88 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.01 0.433 . . . . 10.0 109.912 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.6 -40.72 75.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.508 -0.769 . . . . 10.0 110.151 178.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 76.9 mt -66.52 -42.28 89.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.848 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.63 -34.23 77.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.97 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -81.26 -3.82 53.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 10.0 111.401 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 79.37 29.27 50.22 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.926 -0.654 . . . . 10.0 113.787 179.04 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -76.31 -27.34 56.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.383 0.611 . . . . 10.0 109.548 178.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 4.5 mp -108.62 130.81 60.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.4 -0.818 . . . . 10.0 109.275 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 . . . . . 0 C--O 1.233 0.22 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.988 -179.906 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.449 ' HB2' ' HB3' ' A' ' 63' ' ' LYS . 26.9 ptt? . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 109.99 -0.374 . . . . 10.0 109.99 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -91.33 134.9 34.21 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.169 0.509 . . . . 10.0 111.124 -179.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.3 pt -124.24 164.52 22.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.735 -0.666 . . . . 10.0 109.723 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.463 ' O ' ' HA ' ' A' ' 66' ' ' THR . 70.7 m-85 -114.6 131.45 56.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.941 0.401 . . . . 10.0 110.901 -179.367 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.9 t -114.62 127.54 72.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.915 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -98.58 132.77 43.73 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.294 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.2 p -108.32 165.6 11.38 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 110.081 -0.34 . . . . 10.0 110.081 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.4 mt -69.4 -10.36 57.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.819 0.342 . . . . 10.0 111.023 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.66 -3.45 52.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.172 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.87 15.92 69.04 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.801 -0.714 . . . . 10.0 112.54 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -95.66 121.25 37.16 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.102 -0.333 . . . . 10.0 110.102 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 m -93.77 116.65 29.14 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.103 0.478 . . . . 10.0 110.33 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.9 mt -104.08 138.02 30.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.983 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.46 132.54 50.6 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.019 -0.734 . . . . 10.0 109.019 178.588 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.4 mt -136.76 147.67 46.81 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.378 0.51 . . . . 10.0 112.378 -178.534 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -93.47 115.8 28.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.391 -0.822 . . . . 10.0 109.597 179.009 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.402 ' O ' ' HG2' ' A' ' 1' ' ' MET . 23.3 m -135.47 172.39 15.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.135 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.435 ' O ' HD12 ' A' ' 56' ' ' LEU . 65.7 mm-40 -129.38 160.78 62.48 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 109.968 -0.382 . . . . 10.0 109.968 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -58.17 -32.03 94.75 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.432 2.088 . . . . 10.0 112.232 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.11 20.29 8.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.403 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -87.46 138.31 31.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.789 0.328 . . . . 10.0 110.274 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.42 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.1 m -86.6 142.91 27.93 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.546 -179.512 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.2 mm -56.19 -39.2 57.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.1 0.476 . . . . 10.0 110.44 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -62.46 -30.35 71.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.644 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -77.36 -42.07 37.91 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.616 -0.513 . . . . 10.0 109.616 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 22' ' ' THR . 40.7 t -62.32 -36.44 74.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.695 178.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -60.07 -40.17 88.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.241 -0.89 . . . . 10.0 110.266 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.99 -31.0 70.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.403 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -66.57 -38.89 88.04 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.116 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.6 mt -71.0 -36.57 64.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -63.26 -35.61 80.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.414 -0.812 . . . . 10.0 110.512 179.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -83.05 -12.24 57.34 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.979 -178.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -100.19 -43.12 6.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.825 0.345 . . . . 10.0 111.494 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -99.01 -39.84 8.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.72 -179.065 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.86 11.14 38.32 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.552 -0.833 . . . . 10.0 111.652 -178.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.0 mt -85.39 125.33 70.03 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 115.678 -0.261 . . . . 10.0 110.778 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 37.5 Cg_exo -56.87 143.12 92.4 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 122.78 2.32 . . . . 10.0 112.328 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 48.6 Cg_exo -55.64 -29.79 72.12 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 123.151 2.567 . . . . 10.0 113.253 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -66.53 -33.51 75.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.51 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -91.82 -0.12 57.51 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.209 -178.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -94.59 101.44 13.32 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.365 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -110.17 100.24 9.18 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.96 -0.755 . . . . 10.0 108.96 178.318 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.31 134.6 34.11 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.198 0.523 . . . . 10.0 111.716 -178.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -128.2 136.72 59.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.542 -0.754 . . . . 10.0 109.421 179.271 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.499 ' HB3' HD21 ' A' ' 50' ' ' LEU . 74.2 t80 -132.16 118.63 19.83 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.934 -0.395 . . . . 10.0 109.934 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.8 21.83 11.9 Favored 'General case' 0 N--CA 1.464 0.236 0 O-C-N 123.556 0.535 . . . . 10.0 112.001 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.42 -28.02 16.78 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.698 -0.763 . . . . 10.0 112.902 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -89.16 142.03 28.0 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.283 -0.266 . . . . 10.0 110.283 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -81.41 136.86 35.72 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.783 0.325 . . . . 10.0 110.741 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.499 HD21 ' HB3' ' A' ' 45' ' ' PHE . 51.5 mt -85.63 115.21 23.18 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.795 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.538 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 31.0 mt-10 -75.36 148.14 39.5 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -55.69 -52.13 64.93 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.548 0.573 . . . . 10.0 112.548 -178.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.6 48.21 3.93 Favored Glycine 0 CA--C 1.521 0.413 0 C-N-CA 120.847 -0.692 . . . . 10.0 114.006 -178.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.538 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 23.1 mmt180 -133.08 160.61 36.69 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.969 -0.382 . . . . 10.0 109.969 179.19 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.19 154.26 19.97 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 179.397 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.435 HD12 ' O ' ' A' ' 18' ' ' GLU . 84.8 mt -60.15 -30.28 69.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.086 0.469 . . . . 10.0 110.781 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.89 -21.5 62.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.739 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -68.62 -38.12 80.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.967 0.413 . . . . 10.0 111.332 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -94.56 7.07 46.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.266 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.2 t30 61.93 39.43 13.53 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 115.384 -0.825 . . . . 10.0 111.163 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 69.4 mt -85.47 122.88 38.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.025 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -112.48 -167.23 1.16 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.266 -179.35 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.449 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 55.2 pttt -73.69 154.84 39.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.279 -0.419 . . . . 10.0 109.892 179.105 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 74.56 -16.63 0.53 Allowed 'General case' 0 N--CA 1.473 0.698 0 O-C-N 123.816 0.697 . . . . 10.0 111.975 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.7 m -57.86 141.4 49.29 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.968 0.413 . . . . 10.0 111.038 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 1.7 m -103.15 119.15 38.34 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.202 -179.523 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.1 mp -99.94 155.23 17.8 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.639 -0.71 . . . . 10.0 109.588 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -113.53 133.11 55.43 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.778 0.323 . . . . 10.0 110.719 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.7 tp -112.88 111.38 22.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 89.0 t -101.5 132.58 47.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.968 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.7 mt . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.36 -179.956 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.406 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 24.6 ptt? . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.627 0.251 . . . . 10.0 110.601 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -104.17 141.14 36.78 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.775 0.322 . . . . 10.0 110.969 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 20.9 pt -129.01 168.45 22.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.213 -0.449 . . . . 10.0 109.873 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.47 ' O ' ' HA ' ' B' ' 66' ' ' THR . 57.2 m-85 -121.78 117.23 26.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.972 0.415 . . . . 10.0 111.178 -179.328 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -96.35 123.94 48.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.079 -0.509 . . . . 10.0 109.813 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -102.18 129.59 48.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.889 -179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 34.2 p -108.54 157.44 18.46 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.835 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 47.7 mt -68.79 -14.87 63.3 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.075 0.464 . . . . 10.0 111.12 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.7 -9.94 59.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.161 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.83 28.81 20.19 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.755 -0.735 . . . . 10.0 112.239 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -116.18 130.7 56.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.572 0.225 . . . . 10.0 110.534 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.73 130.11 51.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.548 -0.297 . . . . 10.0 110.765 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 19.4 mt -115.13 132.53 64.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.673 -0.24 . . . . 10.0 110.863 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.7 m -104.14 105.6 15.82 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.161 -0.311 . . . . 10.0 110.161 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 93.6 mt -109.83 145.81 36.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.13 -179.135 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -91.82 122.17 34.11 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 15.0 m -138.47 173.28 12.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.391 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.517 ' O ' HD12 ' B' ' 56' ' ' LEU . 6.8 mm-40 -131.41 155.85 80.92 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 109.178 -0.675 . . . . 10.0 109.178 179.291 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.72 -27.28 60.63 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 122.449 2.099 . . . . 10.0 112.914 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.9 -2.37 58.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.704 -179.641 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -72.32 143.56 48.63 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.706 0.289 . . . . 10.0 110.359 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.455 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.3 OUTLIER -89.4 147.29 24.12 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.537 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.448 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 42.4 mm -57.2 -40.2 72.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.294 0.568 . . . . 10.0 109.887 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -60.54 -36.29 78.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.249 -0.887 . . . . 10.0 110.763 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -71.51 -36.65 71.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.087 0.47 . . . . 10.0 109.767 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.455 HG23 ' O ' ' B' ' 22' ' ' THR . 47.5 t -62.26 -38.51 81.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.896 -0.593 . . . . 10.0 109.525 178.515 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' B' ' 23' ' ' ILE . 4.7 mmmm -59.9 -35.89 75.83 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.055 179.157 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.09 -36.19 81.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.295 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -68.2 -35.99 78.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.268 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.54 HG21 HD11 ' B' ' 69' ' ' LEU . 69.7 mt -69.67 -37.98 75.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 178.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.415 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 58.7 tt0 -69.2 -22.88 63.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.806 178.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -74.36 -28.53 61.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.067 178.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -93.07 -63.65 1.19 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.624 -0.716 . . . . 10.0 111.403 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -77.09 -47.47 20.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.266 -0.424 . . . . 10.0 111.341 -178.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 106.89 -12.56 41.55 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.731 -0.747 . . . . 10.0 112.278 -179.482 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 31.9 mt -62.55 129.6 92.82 Favored Pre-proline 0 C--N 1.327 -0.378 0 C-N-CA 122.307 0.243 . . . . 10.0 111.108 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.457 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 33.0 Cg_exo -57.09 138.7 87.44 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 122.399 2.066 . . . . 10.0 111.792 179.131 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 32.0 Cg_exo -58.73 -25.73 77.0 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.013 2.475 . . . . 10.0 112.638 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.32 -41.9 80.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.811 -0.632 . . . . 10.0 111.379 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -94.65 15.51 17.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.615 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -104.26 100.59 10.32 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.669 0.271 . . . . 10.0 111.264 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.463 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 47.4 mtp180 -97.41 112.42 24.26 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.521 -0.918 . . . . 10.0 108.521 178.449 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 46.3 mt -96.9 131.17 43.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.969 0.414 . . . . 10.0 111.903 -178.034 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mp -123.98 136.82 59.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.02 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.567 ' HB3' HD21 ' B' ' 50' ' ' LEU . 67.1 t80 -131.79 115.19 15.64 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 179.029 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.96 23.83 12.94 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.378 0.423 . . . . 10.0 111.494 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.18 -13.55 63.15 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.792 -0.718 . . . . 10.0 112.559 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -100.37 129.35 46.33 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.556 0.217 . . . . 10.0 110.452 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.19 139.09 46.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.174 0.512 . . . . 10.0 111.235 -179.563 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.567 HD21 ' HB3' ' B' ' 45' ' ' PHE . 24.9 mt -94.73 134.72 37.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.891 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -96.2 148.35 22.81 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.769 -0.456 . . . . 10.0 109.769 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -59.91 -44.38 94.32 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.243 0.46 . . . . 10.0 112.243 -178.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.01 48.89 3.63 Favored Glycine 0 CA--C 1.517 0.181 0 C-N-CA 121.212 -0.518 . . . . 10.0 113.5 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.472 ' HG3' ' OH ' ' B' ' 59' ' ' TYR . 16.2 mmt180 -143.66 162.74 35.16 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 179.463 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.464 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 46.9 p -106.65 163.73 12.66 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.244 -0.65 . . . . 10.0 109.244 178.628 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.517 HD12 ' O ' ' B' ' 18' ' ' GLU . 83.5 mt -61.63 -33.41 73.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.815 0.34 . . . . 10.0 110.799 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.5 m -69.57 -20.8 63.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 10.0 111.52 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' B' ' 55' ' ' THR . 3.9 m-20 -63.57 -37.76 88.53 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.98 0.419 . . . . 10.0 111.028 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.472 ' OH ' ' HG3' ' B' ' 54' ' ' ARG . 87.2 m-85 -101.87 14.36 32.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.202 -179.302 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 63.23 23.78 14.01 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.037 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.6 mt -71.11 129.9 34.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.63 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -129.11 -159.2 0.94 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.311 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.406 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 5.0 pttt -70.76 153.55 42.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.573 -0.285 . . . . 10.0 110.958 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 64.35 14.9 9.11 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.622 -0.717 . . . . 10.0 112.401 178.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.6 m -76.53 140.83 41.3 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.975 -0.38 . . . . 10.0 109.975 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.47 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 32.1 m -98.52 118.95 36.37 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.095 0.474 . . . . 10.0 111.215 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 mp -101.07 120.44 40.21 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.576 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.545 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 43.4 m80 -86.45 119.54 26.82 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.462 -0.335 . . . . 10.0 110.387 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.54 HD11 HG21 ' B' ' 30' ' ' ILE . 0.5 OUTLIER -95.99 114.13 25.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.87 -179.72 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.463 ' HB ' ' HB2' ' B' ' 42' ' ' ARG . 86.5 t -108.7 131.04 60.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.033 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 96.1 mt -103.73 150.93 23.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.497 -0.32 . . . . 10.0 110.138 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.719 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.455 -0.182 0 CA-C-O 120.964 0.411 . . . . 10.0 110.849 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 -67.93 -34.86 77.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.471 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 74.4 mt -66.56 -45.09 80.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.263 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -64.37 -40.16 95.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.977 0.418 . . . . 10.0 110.476 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.39 -44.1 95.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.063 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 47.8 mtm -69.98 -41.12 74.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.14 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.16 -34.82 78.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.75 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.58 -34.46 72.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.913 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 463' ' ' GLN . . . . . 0.475 ' O ' ' HG2' ' D' ' 467' ' ' MET . 23.5 tp60 -70.3 -39.19 75.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.996 0.427 . . . . 10.0 109.901 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 51.4 mt -66.1 -31.19 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.428 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -64.99 -23.19 67.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.349 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -87.38 -14.29 41.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.285 179.308 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 467' ' ' MET . . . . . 0.545 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 49.1 mmm -91.85 -37.89 12.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.38 0.61 . . . . 10.0 109.676 179.524 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 468' ' ' PHE . . . . . 0.491 ' O ' HG12 ' D' ' 471' ' ' VAL . 5.7 m-85 -130.06 95.92 26.94 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.601 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -80.2 26.16 0.58 Allowed 'Trans proline' 0 CA--C 1.53 0.294 0 C-N-CA 122.516 2.144 . . . . 10.0 112.614 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -137.4 21.04 2.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.717 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 471' ' ' VAL . . . . . 0.491 HG12 ' O ' ' D' ' 468' ' ' PHE . 14.1 p -120.03 131.27 24.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.05 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 472' ' ' PRO . . . . . 0.439 ' HG2' HD12 ' D' ' 475' ' ' LEU . 32.4 Cg_exo -59.98 121.78 10.36 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.572 2.182 . . . . 10.0 112.405 179.165 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -53.05 -40.13 63.73 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.809 -0.632 . . . . 10.0 112.167 -179.102 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -68.22 -23.34 64.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.604 0.24 . . . . 10.0 111.638 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 475' ' ' LEU . . . . . 0.51 ' O ' ' HB3' ' D' ' 478' ' ' GLN . 22.6 mt -84.94 -26.77 26.99 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.634 -0.506 . . . . 10.0 109.634 179.261 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 476' ' ' VAL . . . . . 0.411 HG23 ' O ' ' D' ' 472' ' ' PRO . 53.5 t -68.86 -42.62 82.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 108.912 -0.773 . . . . 10.0 108.912 178.386 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 477' ' ' LEU . . . . . 0.457 ' O ' ' HG3' ' D' ' 481' ' ' GLN . 63.1 mt -62.12 -27.9 69.25 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.451 -0.795 . . . . 10.0 110.346 178.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 478' ' ' GLN . . . . . 0.51 ' HB3' ' O ' ' D' ' 475' ' ' LEU . 2.2 tt0 -62.37 -52.84 61.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.702 -0.681 . . . . 10.0 111.039 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 479' ' ' ASP . . . . . 0.509 ' HB3' HG23 ' D' ' 489' ' ' THR . 12.6 t70 -65.83 -33.99 77.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.61 -179.264 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.33 -27.69 67.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.66 179.295 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 481' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' D' ' 477' ' ' LEU . 58.3 mt-30 -89.79 -3.23 58.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.46 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -107.49 -58.4 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.431 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 82.6 p -87.19 -35.37 18.61 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.488 -0.324 . . . . 10.0 111.443 -179.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? 65.71 21.19 11.59 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.68 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.44 112.77 7.16 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.827 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 16.7 m -52.75 -31.0 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 115.941 -0.572 . . . . 10.0 112.237 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -60.98 -54.26 47.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.037 0.446 . . . . 10.0 110.217 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 22.5 mt -67.55 -34.08 66.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.292 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 489' ' ' THR . . . . . 0.509 HG23 ' HB3' ' D' ' 479' ' ' ASP . 87.2 m -60.16 -49.84 76.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.745 -0.661 . . . . 10.0 111.197 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 490' ' ' THR . . . . . 0.44 ' HB ' HG13 ' B' ' 70' ' ' VAL . 1.9 m -68.42 -34.73 76.53 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.764 -179.246 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 491' ' ' ASP . . . . . 0.467 ' O ' ' HG2' ' D' ' 495' ' ' GLU . 18.1 t70 -65.76 -44.16 86.69 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.933 -0.766 . . . . 10.0 108.933 178.271 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -56.23 -36.46 68.5 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.215 -0.902 . . . . 10.0 110.47 178.524 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 493' ' ' ILE . . . . . 0.465 HG13 ' O ' ' D' ' 489' ' ' THR . 89.9 mt -64.02 -44.45 97.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.036 179.215 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.82 -28.81 67.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.001 0.429 . . . . 10.0 110.566 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 495' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' D' ' 491' ' ' ASP . 33.4 mm-40 -76.68 -20.98 56.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.776 -0.647 . . . . 10.0 111.329 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 95.19 24.56 16.39 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.453 -0.88 . . . . 10.0 112.298 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -71.62 -37.36 70.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.559 0.695 . . . . 10.0 109.32 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 4.1 mp -100.68 122.8 53.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.079 -0.964 . . . . 10.0 109.265 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 . . . . . 0 C--N 1.326 -0.448 0 CA-C-O 120.965 0.412 . . . . 10.0 111.01 -179.76 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.483 1.194 0 N-CA-C 110.334 -0.247 . . . . 10.0 110.334 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -111.7 143.43 42.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.363 -0.38 . . . . 10.0 111.317 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.2 pt -129.96 162.59 37.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 178.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -122.64 116.25 23.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.928 0.394 . . . . 10.0 111.393 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 63.0 t -100.89 121.05 51.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.8 -0.636 . . . . 10.0 110.036 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.7 mttp -98.99 131.96 44.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.868 0.366 . . . . 10.0 110.909 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.8 p -94.78 171.69 8.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.189 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.429 HD11 ' H ' ' A' ' 71' ' ' LEU . 52.6 mt -65.82 -28.1 68.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.89 0.376 . . . . 10.0 110.811 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.553 HG23 HE21 ' D' ' 465' ' ' GLN . 1.9 m -74.94 -27.88 60.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.94 -0.573 . . . . 10.0 111.131 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.71 -16.27 10.38 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.805 -0.712 . . . . 10.0 111.731 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -61.49 127.76 33.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.669 -0.265 . . . . 10.0 110.784 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -106.35 121.73 44.82 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.367 -0.379 . . . . 10.0 110.178 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mt -100.65 133.06 45.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.551 -178.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.22 129.39 38.18 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.894 -0.594 . . . . 10.0 109.569 178.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.3 mt -131.46 133.42 45.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.862 0.363 . . . . 10.0 111.533 -179.057 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -94.36 108.79 20.68 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.196 -0.668 . . . . 10.0 109.196 178.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.5 m -138.09 172.65 13.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.266 -0.424 . . . . 10.0 110.895 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -124.22 155.57 67.89 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.427 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 55.7 Cg_exo -53.49 -24.83 29.89 Favored 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 122.97 2.447 . . . . 10.0 113.889 -179.119 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.52 0.08 57.47 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.472 0.545 . . . . 10.0 112.472 -178.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -74.0 143.74 45.44 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.681 -0.408 . . . . 10.0 110.162 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.6 m -84.02 141.01 31.49 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.777 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.4 mm -54.43 -40.83 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.28 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -61.89 -30.08 70.64 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.914 0.388 . . . . 10.0 110.723 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -75.52 -29.51 59.5 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.429 -0.582 . . . . 10.0 109.429 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.0 t -67.7 -39.22 81.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.135 -0.691 . . . . 10.0 109.135 178.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -61.94 -36.24 80.81 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.561 -0.745 . . . . 10.0 109.769 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.22 -37.9 89.05 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.591 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.2 mtmm -66.34 -42.61 87.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.174 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 60.0 mt -66.4 -36.16 76.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.508 0.67 . . . . 10.0 109.63 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -67.81 -29.54 68.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.553 -0.749 . . . . 10.0 110.419 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -81.17 -33.51 33.0 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.494 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -87.61 -47.0 9.04 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.218 0.451 . . . . 10.0 112.218 -179.021 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -92.45 -32.95 14.71 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.025 0.38 . . . . 10.0 112.025 -178.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.42 10.66 61.82 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.497 -0.859 . . . . 10.0 112.466 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.4 mt -83.8 126.13 71.47 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 110.471 -0.196 . . . . 10.0 110.471 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 45.7 Cg_exo -55.95 138.63 82.81 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.856 2.371 . . . . 10.0 112.15 179.518 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.2 Cg_exo -54.8 -32.38 76.55 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.997 2.465 . . . . 10.0 112.969 -179.529 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.57 -21.63 66.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.951 -179.563 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -102.35 0.9 34.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.673 0.273 . . . . 10.0 111.18 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -93.73 131.72 38.8 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.067 -179.326 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 65.4 mtt180 -135.61 102.86 5.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.226 178.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.8 mt -93.57 123.37 36.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.675 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mp -123.17 137.4 56.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.064 -0.517 . . . . 10.0 110.064 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.47 ' HB3' HD21 ' A' ' 50' ' ' LEU . 71.2 t80 -135.02 114.82 12.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.348 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.97 33.02 10.11 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.782 -0.644 . . . . 10.0 111.368 179.005 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.33 -7.94 73.53 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.981 -0.628 . . . . 10.0 112.896 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -99.73 128.31 45.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.887 0.375 . . . . 10.0 111.01 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.38 116.75 19.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.872 -0.604 . . . . 10.0 109.376 179.326 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.47 HD21 ' HB3' ' A' ' 45' ' ' PHE . 37.3 mt -64.23 127.9 33.45 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.008 -178.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.478 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 12.9 mt-10 -83.6 138.51 33.33 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.271 -0.64 . . . . 10.0 109.271 178.69 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -60.71 -21.0 62.44 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.275 0.472 . . . . 10.0 112.275 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.03 34.94 5.0 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.682 -0.771 . . . . 10.0 113.479 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.478 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 17.4 mmt180 -132.59 174.33 10.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.914 0.357 . . . . 10.0 110.436 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.0 p -112.98 -179.3 3.61 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.079 -0.711 . . . . 10.0 109.079 178.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.427 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 87.8 mt -73.5 -33.24 64.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.982 0.42 . . . . 10.0 110.808 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.4 m -75.07 -10.27 59.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.289 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.18 -31.72 70.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.051 0.453 . . . . 10.0 110.477 179.372 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -111.88 9.95 20.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.501 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 61.32 50.87 4.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.38 -0.827 . . . . 10.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 73.1 mt -89.95 112.16 24.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.22 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -88.4 -173.47 4.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.706 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 57.3 pttt -76.1 150.99 37.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.478 -0.328 . . . . 10.0 110.936 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 63.52 24.29 13.99 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.617 -0.719 . . . . 10.0 111.94 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.8 m -79.92 153.21 29.13 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.304 -0.258 . . . . 10.0 110.304 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.7 m -97.22 118.0 32.68 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.626 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -106.72 130.49 54.43 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.271 -0.64 . . . . 10.0 109.271 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.5 123.52 36.86 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.551 0.215 . . . . 10.0 110.544 -179.54 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.3 tp -106.83 109.11 20.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.694 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.426 ' HA ' HD21 ' A' ' 8' ' ' LEU . 63.7 t -98.18 132.05 43.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.171 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.429 ' H ' HD11 ' A' ' 8' ' ' LEU . 94.9 mt . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.441 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 26.4 ptt? . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 120.859 0.362 . . . . 10.0 110.071 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -100.42 133.92 44.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.934 0.397 . . . . 10.0 110.97 -179.31 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 19.2 pt -119.74 160.44 19.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.092 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -109.27 114.5 28.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.883 0.373 . . . . 10.0 111.057 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 44.0 t -100.06 119.57 48.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.75 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 6.8 mttp -97.53 128.21 44.09 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.952 -179.106 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 19.1 p -102.8 160.24 14.77 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.065 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 56.1 mt -64.94 -14.66 60.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.0 0.428 . . . . 10.0 111.41 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.25 -16.37 40.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.783 179.161 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.88 11.23 47.23 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.987 -0.625 . . . . 10.0 112.855 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -93.0 133.34 36.23 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 122.708 -0.29 . . . . 10.0 110.443 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -100.99 115.15 29.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.404 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 7.4 mt -96.29 132.38 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.501 -0.318 . . . . 10.0 110.613 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.77 124.82 46.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.073 179.399 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 67.5 mt -126.94 140.2 52.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.265 -179.273 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -93.64 103.99 16.12 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.744 -0.836 . . . . 10.0 108.744 178.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.404 ' O ' ' HG2' ' B' ' 1' ' ' MET . 16.9 m -129.39 164.55 31.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.092 -178.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.503 ' O ' HD12 ' B' ' 56' ' ' LEU . 10.9 mm-40 -124.03 157.46 63.64 Favored Pre-proline 0 C--N 1.32 -0.68 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 179.449 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -55.96 -23.17 41.83 Favored 'Trans proline' 0 CA--C 1.531 0.368 0 C-N-CA 122.408 2.072 . . . . 10.0 112.691 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.95 4.93 46.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.307 -0.406 . . . . 10.0 112.059 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -81.42 153.09 27.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.886 0.374 . . . . 10.0 110.795 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m -99.53 146.96 25.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.737 -178.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.47 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 40.0 mm -56.58 -42.04 75.01 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.118 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -59.62 -35.52 74.52 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.865 0.364 . . . . 10.0 111.133 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -68.88 -35.36 76.79 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.682 -0.488 . . . . 10.0 109.682 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 44.2 t -64.15 -40.62 89.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.504 ' HE3' ' O ' ' B' ' 41' ' ' GLN . 5.5 mmmm -59.43 -44.56 92.88 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.567 -0.742 . . . . 10.0 109.462 178.561 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.82 -36.2 82.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.287 -0.87 . . . . 10.0 110.932 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -68.03 -42.27 80.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.384 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 73.0 mt -67.21 -34.21 67.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.595 0.712 . . . . 10.0 109.385 178.566 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -67.08 -34.52 77.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.159 -0.928 . . . . 10.0 110.494 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -79.5 -30.29 41.9 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.918 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 43.3 mttt -82.22 -52.76 6.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.522 -0.308 . . . . 10.0 111.608 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -88.83 -53.69 4.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.856 0.36 . . . . 10.0 111.115 -178.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.23 7.06 10.37 Favored Glycine 0 CA--C 1.517 0.167 0 C-N-CA 120.781 -0.723 . . . . 10.0 112.472 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 21.1 mt -86.81 126.31 63.94 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 122.827 -0.219 . . . . 10.0 110.72 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.447 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 34.3 Cg_exo -57.96 143.7 95.65 Favored 'Trans proline' 0 CA--C 1.532 0.416 0 C-N-CA 122.662 2.241 . . . . 10.0 112.181 179.152 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 31.2 Cg_exo -58.89 -24.63 73.44 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.894 2.396 . . . . 10.0 113.396 -179.151 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.57 -22.84 63.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 10.0 111.362 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -103.21 0.62 31.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.07 0.462 . . . . 10.0 110.404 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.504 ' O ' ' HE3' ' B' ' 27' ' ' LYS . 67.0 mt-30 -94.28 113.9 25.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.747 -0.661 . . . . 10.0 111.172 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.468 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 2.7 ttt180 -113.12 108.47 17.35 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.739 -0.837 . . . . 10.0 108.739 178.057 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 25.0 mt -94.39 126.58 39.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.006 0.432 . . . . 10.0 111.757 -177.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.553 HG21 ' CZ ' ' D' ' 468' ' ' PHE . 1.6 mp -120.87 133.2 68.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.615 -0.72 . . . . 10.0 110.447 179.401 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.778 ' HB3' HD21 ' B' ' 50' ' ' LEU . 59.0 t80 -133.05 126.05 30.98 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.055 -0.72 . . . . 10.0 109.055 178.629 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.96 34.17 16.93 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.288 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.2 24.88 70.05 Favored Glycine 0 CA--C 1.52 0.395 0 CA-C-N 116.061 -0.518 . . . . 10.0 113.779 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 31.6 mtmm -141.45 152.25 44.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.82 0.31 . . . . 10.0 110.399 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.09 135.51 33.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.018 0.437 . . . . 10.0 110.98 -179.656 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.778 HD21 ' HB3' ' B' ' 45' ' ' PHE . 31.3 mt -91.89 147.69 22.78 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.17 179.685 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -99.54 142.55 30.87 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.505 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.2 -21.99 65.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.858 -0.61 . . . . 10.0 112.094 -179.107 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.03 30.19 7.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 10.0 113.328 -179.313 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' B' ' 54' ' ' ARG . 33.0 mmt-85 -129.62 161.38 30.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 117.004 0.402 . . . . 10.0 110.178 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.06 162.35 13.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.317 179.421 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.503 HD12 ' O ' ' B' ' 18' ' ' GLU . 86.8 mt -63.67 -24.23 67.7 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.808 0.337 . . . . 10.0 111.277 -179.637 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.89 -33.34 59.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.827 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -60.06 -45.88 91.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.81 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.401 ' OH ' ' HG3' ' B' ' 54' ' ' ARG . 62.0 m-85 -83.75 -1.29 53.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.065 179.594 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 59.39 39.43 22.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.7 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 56.2 mt -72.63 108.63 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.196 -0.456 . . . . 10.0 109.934 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -91.22 -174.61 4.01 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.383 -179.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.99 156.51 36.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.355 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 64.81 12.67 7.9 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 122.921 0.488 . . . . 10.0 111.985 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 18.9 m -81.76 160.57 23.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.799 0.333 . . . . 10.0 110.113 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 2.7 m -117.89 131.41 56.53 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.014 0.435 . . . . 10.0 111.637 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -112.93 131.97 55.52 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.873 -0.788 . . . . 10.0 108.873 178.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -92.84 124.16 36.63 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.723 0.296 . . . . 10.0 110.374 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.4 tp -102.78 107.52 18.41 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.106 0.479 . . . . 10.0 110.159 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.468 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 51.1 t -102.49 140.05 21.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.644 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 79.2 mt -109.52 155.62 21.14 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 179.249 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.652 0 CA-C-O 120.872 0.368 . . . . 10.0 111.291 -179.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 120.651 0.262 . . . . 10.0 111.695 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -69.51 -36.62 76.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.096 0.474 . . . . 10.0 110.403 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 79.7 mt -65.57 -37.79 87.67 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.996 -0.547 . . . . 10.0 109.96 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -63.4 -41.97 98.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.056 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -66.99 -41.46 86.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.776 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 3.2 mtm -65.51 -41.35 93.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.745 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.38 -42.99 95.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.625 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -61.94 -34.95 77.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.925 -0.579 . . . . 10.0 110.631 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -61.42 -37.16 82.49 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.135 0.493 . . . . 10.0 110.077 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 72.2 mt -75.83 -40.9 39.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.987 -0.551 . . . . 10.0 109.635 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 465' ' ' GLN . . . . . 0.553 HE21 HG23 ' A' ' 9' ' ' THR . 33.5 tp60 -59.16 -35.41 73.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.89 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -64.14 -18.09 64.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.494 -0.776 . . . . 10.0 111.568 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 47.5 mtm -107.75 -39.86 5.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.688 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 468' ' ' PHE . . . . . 0.553 ' CZ ' HG21 ' B' ' 44' ' ' ILE . 96.4 m-85 -119.17 85.75 30.83 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.716 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -84.27 12.82 2.91 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.895 2.397 . . . . 10.0 111.942 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -103.79 10.29 36.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.923 -0.58 . . . . 10.0 111.165 -179.165 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 471' ' ' VAL . . . . . 0.421 HG12 ' O ' ' D' ' 468' ' ' PHE . 7.2 p -123.39 134.21 25.06 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.088 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 472' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.42 122.18 11.26 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.617 2.211 . . . . 10.0 112.504 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -51.03 -42.93 60.79 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.679 -0.692 . . . . 10.0 112.705 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 27.2 p-80 -64.71 -26.03 68.2 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.833 0.309 . . . . 10.0 111.833 -179.021 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 475' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' D' ' 475' ' ' LEU . 31.3 mt -79.04 -31.98 44.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.818 0.342 . . . . 10.0 110.427 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 40.6 t -65.72 -41.76 91.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 178.406 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 16.0 mt -66.46 -19.44 65.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.352 -0.84 . . . . 10.0 110.806 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -73.38 -50.93 19.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.43 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -68.02 -33.73 75.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.851 0.358 . . . . 10.0 110.16 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.55 -25.73 66.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.056 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -91.66 -5.74 53.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 10.0 110.942 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -103.91 -56.5 2.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.901 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 65.9 p -86.17 -39.64 16.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.079 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 61.33 34.6 18.4 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.754 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -152.33 112.95 4.13 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 5.6 m -52.53 -34.18 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 O-C-N 123.411 0.445 . . . . 10.0 111.99 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -59.59 -47.84 83.98 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.001 0.429 . . . . 10.0 110.709 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 488' ' ' ILE . . . . . 0.428 ' O ' ' HB2' ' D' ' 492' ' ' ASN . 15.4 mt -74.77 -42.95 47.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.981 -179.479 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 78.5 m -54.46 -52.62 61.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.795 -0.639 . . . . 10.0 112.664 -178.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 2.4 m -60.61 -44.65 96.05 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.131 0.419 . . . . 10.0 112.131 -178.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -68.43 -36.8 79.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.067 0.461 . . . . 10.0 109.944 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 492' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' D' ' 488' ' ' ILE . 1.0 OUTLIER -57.43 -45.69 84.38 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.538 -0.756 . . . . 10.0 110.169 179.062 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 73.3 mt -66.34 -44.42 90.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.532 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.02 -31.27 72.43 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.311 -179.401 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -75.24 -28.59 59.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.332 . . . . 10.0 111.388 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 110.73 21.67 6.68 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.741 -0.742 . . . . 10.0 112.964 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 497' ' ' ARG . . . . . 0.438 ' HB3' HD12 ' D' ' 498' ' ' ILE . 9.9 tpp180 -72.74 -34.54 67.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.265 0.555 . . . . 10.0 109.589 179.276 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 498' ' ' ILE . . . . . 0.438 HD12 ' HB3' ' D' ' 497' ' ' ARG . 3.2 mp -99.95 137.87 26.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.293 -0.867 . . . . 10.0 109.03 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 . . . . . 0 C--N 1.327 -0.394 0 CA-C-O 121.071 0.462 . . . . 10.0 111.993 -179.165 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.4 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 25.6 ptt? . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 110.345 -0.242 . . . . 10.0 110.345 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -110.19 139.58 45.21 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.556 -0.293 . . . . 10.0 110.606 -179.697 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.0 pt -125.06 160.53 30.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.968 -0.382 . . . . 10.0 109.968 178.747 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.415 ' O ' ' HA ' ' A' ' 66' ' ' THR . 71.8 m-85 -115.13 114.02 24.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.91 0.386 . . . . 10.0 110.851 -179.224 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 59.1 t -106.2 116.46 50.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.108 -0.496 . . . . 10.0 109.72 179.328 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.8 tttp -102.44 133.6 47.12 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.969 0.414 . . . . 10.0 110.45 -179.529 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.4 p -95.8 170.55 9.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.345 179.639 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.69 -4.78 21.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 10.0 111.497 -179.757 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 39.9 p -97.31 -1.61 44.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.218 0.532 . . . . 10.0 110.691 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.96 -19.25 53.18 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.771 -0.65 . . . . 10.0 112.019 -179.809 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp -64.94 119.56 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.036 0.446 . . . . 10.0 110.648 -179.72 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.6 m -102.08 126.05 48.92 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.128 -179.867 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.7 mt -112.02 138.34 41.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.017 -178.925 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 m -102.38 131.17 49.18 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.754 -0.832 . . . . 10.0 108.754 178.316 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.7 mt -123.88 145.39 49.15 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.101 0.408 . . . . 10.0 112.101 -178.439 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -92.33 108.3 19.85 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.413 -0.958 . . . . 10.0 108.413 178.221 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.4 ' O ' ' HG2' ' A' ' 1' ' ' MET . 30.0 m -135.07 168.85 22.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.188 0.518 . . . . 10.0 111.547 -178.602 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.561 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 76.7 mm-40 -129.7 159.46 69.56 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 108.869 -0.789 . . . . 10.0 108.869 178.87 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -56.05 -28.29 68.8 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 122.279 1.986 . . . . 10.0 112.337 179.539 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.53 9.39 13.67 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.89 -0.596 . . . . 10.0 111.529 -179.809 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.561 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 1.8 m-20 -88.61 139.17 30.74 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.927 0.394 . . . . 10.0 110.108 179.671 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -94.7 155.42 16.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.421 179.78 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.431 HD12 HD13 ' A' ' 50' ' ' LEU . 19.3 mm -57.31 -38.8 64.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.829 -0.434 . . . . 10.0 109.829 179.718 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -59.24 -44.82 92.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.509 -0.769 . . . . 10.0 110.226 178.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.451 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 9.7 t-20 -66.73 -38.63 87.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.505 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.1 t -64.14 -40.42 89.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.389 179.514 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -63.37 -34.5 77.87 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.091 179.195 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.29 -31.73 72.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.516 179.157 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 61.2 mttt -68.67 -37.71 79.83 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.629 -0.508 . . . . 10.0 109.629 178.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 63.8 mt -72.06 -33.75 48.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-O 121.26 0.552 . . . . 10.0 109.847 178.795 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -64.76 -37.37 87.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.492 -0.776 . . . . 10.0 110.885 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -81.31 -26.83 35.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.074 0.464 . . . . 10.0 110.99 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -78.7 -56.17 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.454 -179.457 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -94.85 -51.5 4.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.876 0.369 . . . . 10.0 111.442 -178.993 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.19 2.36 10.06 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.023 -0.608 . . . . 10.0 112.263 -179.304 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.9 mt -75.46 124.93 89.22 Favored Pre-proline 0 C--N 1.327 -0.392 0 O-C-N 122.905 -0.173 . . . . 10.0 110.878 -179.77 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 27.0 Cg_exo -62.33 137.5 65.85 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.692 2.261 . . . . 10.0 112.003 179.565 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 37.5 Cg_exo -57.95 -21.6 50.42 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.008 2.472 . . . . 10.0 112.805 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -68.98 -25.62 64.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.363 0.601 . . . . 10.0 110.277 179.279 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -107.23 9.34 30.16 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.696 -179.447 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -99.56 115.99 30.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.246 -179.624 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -118.1 100.63 7.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.809 0.338 . . . . 10.0 110.114 178.644 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 36.0 mt -88.7 132.27 34.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.048 -179.554 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -125.21 132.77 70.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.585 179.528 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.507 ' HB3' HD21 ' A' ' 50' ' ' LEU . 89.0 t80 -132.67 126.4 32.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.076 179.674 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.84 28.39 15.94 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.083 0.468 . . . . 10.0 111.641 179.433 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.26 -4.03 86.38 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.967 -0.635 . . . . 10.0 113.157 179.568 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -106.25 132.09 52.71 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.055 0.455 . . . . 10.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -75.77 129.36 36.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.769 -0.65 . . . . 10.0 109.454 179.397 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.507 HD21 ' HB3' ' A' ' 45' ' ' PHE . 21.8 mt -80.02 147.29 31.58 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.343 -0.389 . . . . 10.0 110.461 -179.629 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -89.58 -144.47 0.16 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.015 -0.538 . . . . 10.0 109.748 179.395 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.5 -59.83 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.656 -0.418 . . . . 10.0 111.8 -179.188 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.32 44.9 3.26 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.99 -0.624 . . . . 10.0 113.153 -178.672 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -125.3 151.96 45.31 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.642 -0.503 . . . . 10.0 109.642 179.862 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.2 p -93.97 165.15 12.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.665 0.269 . . . . 10.0 110.397 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.404 ' HB3' ' HB ' ' A' ' 61' ' ' ILE . 85.9 mt -64.74 -33.48 76.08 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.003 0.43 . . . . 10.0 110.563 179.739 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.81 -23.4 66.04 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.056 179.35 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -66.83 -25.29 66.36 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.0 0.429 . . . . 10.0 110.909 179.866 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -110.75 7.69 22.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.83 -179.873 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.8 t30 64.97 31.71 11.09 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.397 -0.82 . . . . 10.0 111.287 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.404 ' HB ' ' HB3' ' A' ' 56' ' ' LEU . 93.1 mt -79.02 119.57 28.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 109.2 -0.667 . . . . 10.0 109.2 179.129 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -113.7 -164.57 0.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.228 0.537 . . . . 10.0 111.427 -178.46 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.1 pttt -68.41 140.06 55.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.675 -0.693 . . . . 10.0 111.691 -179.449 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 57.46 44.54 21.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.26 -0.882 . . . . 10.0 112.282 179.28 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.5 m -98.61 143.83 28.57 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 178.368 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 22.6 m -95.05 121.63 36.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.228 0.537 . . . . 10.0 111.691 -179.413 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -113.11 147.37 37.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.514 -0.766 . . . . 10.0 109.105 179.092 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -108.86 134.63 51.28 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.848 0.356 . . . . 10.0 110.736 179.702 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.8 tp -111.75 110.43 20.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.989 -0.551 . . . . 10.0 111.008 -179.789 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.6 t -94.58 133.7 34.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.02 179.674 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.0 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.874 -179.631 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.479 1.012 0 N-CA-C 110.117 -0.327 . . . . 10.0 110.117 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -110.01 139.51 45.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.739 -179.621 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.6 pt -127.18 158.4 38.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.738 178.79 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -115.64 115.08 25.77 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.648 -0.251 . . . . 10.0 110.641 -179.585 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -98.99 121.13 49.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 110.19 -0.3 . . . . 10.0 110.19 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 39.2 tttp -97.88 139.23 34.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.639 -0.255 . . . . 10.0 110.483 -179.288 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 41.6 p -117.16 172.9 6.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.228 -179.643 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 40.4 mt -82.29 -4.08 56.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.123 179.731 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.13 7.07 46.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.142 0.496 . . . . 10.0 110.573 179.786 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.27 37.61 71.29 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.813 -0.631 . . . . 10.0 112.265 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -128.62 110.67 12.45 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.796 0.331 . . . . 10.0 110.869 -179.496 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 20.3 m -87.11 123.67 32.42 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.411 -0.588 . . . . 10.0 109.411 178.694 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 37.1 mt -103.69 136.69 35.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.404 -179.017 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.37 134.0 36.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.011 -0.541 . . . . 10.0 109.659 178.318 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 18.0 mt -134.61 131.41 37.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.848 0.356 . . . . 10.0 111.569 -179.788 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -88.5 105.83 17.88 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.06 178.306 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 29.6 m -136.45 169.9 19.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.378 -179.684 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.417 ' O ' HD12 ' B' ' 56' ' ' LEU . 5.7 mm-40 -126.18 157.83 68.55 Favored Pre-proline 0 C--N 1.317 -0.809 0 N-CA-C 108.496 -0.927 . . . . 10.0 108.496 178.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -56.57 -23.86 50.66 Favored 'Trans proline' 0 CA--C 1.529 0.266 0 C-N-CA 122.14 1.893 . . . . 10.0 111.946 179.677 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.63 -3.63 53.97 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.568 -0.742 . . . . 10.0 112.185 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -78.54 147.96 33.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.919 0.39 . . . . 10.0 110.186 -179.795 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.1 m -93.66 145.23 24.71 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.772 -179.394 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.8 mm -52.66 -39.95 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-O 120.969 0.414 . . . . 10.0 110.963 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -58.11 -39.07 77.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.635 -0.711 . . . . 10.0 111.236 179.565 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -76.03 -33.73 59.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.82 0.343 . . . . 10.0 110.787 -179.808 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.13 -52.05 65.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.728 179.751 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.424 ' H ' ' HG2' ' B' ' 27' ' ' LYS . 13.6 ptmt -68.42 -26.61 65.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.387 179.823 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.91 -30.21 69.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.174 0.511 . . . . 10.0 109.873 178.736 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -71.87 -36.1 69.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.705 -0.68 . . . . 10.0 109.549 178.787 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 66.3 mt -69.48 -31.07 47.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 N-CA-C 108.781 -0.822 . . . . 10.0 108.781 178.176 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.5 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 8.0 tt0 -67.41 -23.87 65.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.979 -1.009 . . . . 10.0 109.861 178.662 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -87.55 -38.14 16.26 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.554 179.631 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -75.0 -57.57 3.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.386 -179.674 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -88.55 -47.44 8.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.854 0.359 . . . . 10.0 110.994 -179.022 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.5 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 114.17 -4.17 23.77 Favored Glycine 0 N--CA 1.454 -0.122 0 C-N-CA 120.456 -0.878 . . . . 10.0 112.485 -179.775 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 35.0 mt -65.07 125.81 89.98 Favored Pre-proline 0 C--N 1.324 -0.51 0 C-N-CA 122.287 0.235 . . . . 10.0 111.167 -179.461 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.46 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 31.8 Cg_exo -58.29 144.62 95.67 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.78 2.32 . . . . 10.0 112.258 179.56 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 26.5 Cg_exo -60.94 -24.53 79.62 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.774 2.316 . . . . 10.0 113.122 -179.475 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -65.53 -45.34 83.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.04 0.448 . . . . 10.0 111.299 -179.874 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -78.11 -14.93 59.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.64 -178.957 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -82.83 111.62 18.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.149 -0.478 . . . . 10.0 112.122 -178.852 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -113.18 113.08 24.84 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.926 -0.768 . . . . 10.0 108.926 178.218 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 41.1 mt -91.07 116.53 28.88 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.869 0.366 . . . . 10.0 111.295 -178.288 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -112.58 137.38 45.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.277 179.643 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.487 ' HB3' HD21 ' B' ' 50' ' ' LEU . 32.7 t80 -134.46 124.37 25.5 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.037 -0.727 . . . . 10.0 109.037 178.968 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.09 13.96 6.17 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.089 -0.505 . . . . 10.0 112.097 179.516 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.7 -3.87 39.41 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.651 -0.785 . . . . 10.0 113.739 179.349 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -119.89 157.82 27.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 117.442 0.621 . . . . 10.0 110.488 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -88.53 144.77 26.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.321 0.581 . . . . 10.0 111.578 -178.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.487 HD21 ' HB3' ' B' ' 45' ' ' PHE . 19.8 mt -95.88 139.38 32.17 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.429 -0.805 . . . . 10.0 109.722 179.25 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.484 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 1.9 mt-10 -80.47 139.68 36.3 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.574 -0.528 . . . . 10.0 109.574 179.674 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.44 -40.13 74.27 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.286 0.476 . . . . 10.0 112.286 -179.101 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.39 46.33 3.2 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.84 -0.695 . . . . 10.0 113.235 -179.222 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.484 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 34.1 mmt180 -133.57 162.0 33.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.907 0.354 . . . . 10.0 110.425 179.399 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.09 160.47 14.61 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.993 179.395 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.417 HD12 ' O ' ' B' ' 18' ' ' GLU . 96.7 mt -62.49 -35.28 78.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.86 0.362 . . . . 10.0 110.895 -179.548 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.16 -20.99 66.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.706 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -66.66 -32.85 74.43 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.834 0.349 . . . . 10.0 110.958 -179.331 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -105.02 9.22 34.5 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.824 0.345 . . . . 10.0 110.21 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 63.89 32.18 13.42 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.557 -0.747 . . . . 10.0 111.265 -179.847 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 67.0 mt -77.79 107.47 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.122 0.487 . . . . 10.0 110.033 179.58 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -97.05 -165.43 1.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.616 -0.72 . . . . 10.0 111.327 -179.172 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 31.1 pttt -76.29 152.02 36.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.771 -0.65 . . . . 10.0 111.035 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 69.83 16.05 7.84 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.818 0.699 . . . . 10.0 111.651 179.45 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 28.3 m -82.1 150.3 27.57 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.787 0.327 . . . . 10.0 110.698 179.669 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.1 m -107.69 130.06 54.96 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.335 179.821 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 20.1 mt -110.86 145.92 37.39 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.877 0.37 . . . . 10.0 110.866 -179.497 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.544 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 34.7 m170 -101.07 119.47 38.8 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.168 179.691 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 43.4 tp -99.96 100.23 11.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.029 0.442 . . . . 10.0 110.467 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.533 HG11 HD12 ' D' ' 494' ' ' LEU . 54.8 t -86.28 131.47 34.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.16 -179.408 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 31.6 mt -90.97 134.23 34.65 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.029 -0.73 . . . . 10.0 109.029 178.845 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 C-N-CA 121.127 -0.229 . . . . 10.0 110.953 -179.786 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.26 0 CA-C-O 120.841 0.353 . . . . 10.0 111.469 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -71.82 -43.09 66.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.054 0.454 . . . . 10.0 110.179 -179.797 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 457' ' ' LEU . . . . . 0.519 HD22 ' HB3' ' D' ' 480' ' ' LEU . 57.7 mt -63.82 -41.1 97.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -60.63 -41.88 95.78 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.385 -0.371 . . . . 10.0 110.872 179.861 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -67.55 -46.39 72.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.905 179.771 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 42.2 mtm -62.64 -40.96 98.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.643 179.757 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.18 -38.72 90.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.476 179.412 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -61.95 -43.48 98.75 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.257 -0.428 . . . . 10.0 110.527 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -57.82 -42.83 85.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.934 0.397 . . . . 10.0 110.723 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 52.8 mt -72.26 -37.17 57.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.987 -0.552 . . . . 10.0 110.034 179.309 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 -60.37 -33.69 72.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.072 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -68.99 -21.33 64.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.816 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 467' ' ' MET . . . . . 0.544 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 8.2 mtm -101.48 -19.31 15.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.176 -179.688 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 468' ' ' PHE . . . . . 0.409 ' O ' HG12 ' D' ' 471' ' ' VAL . 0.5 OUTLIER -127.35 80.07 72.28 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-O 121.044 0.45 . . . . 10.0 109.876 179.119 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -77.23 39.45 0.73 Allowed 'Trans proline' 0 CA--C 1.531 0.339 0 C-N-CA 122.682 2.255 . . . . 10.0 112.946 -178.794 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -156.49 23.47 0.35 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.749 0.309 . . . . 10.0 111.299 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 471' ' ' VAL . . . . . 0.409 HG12 ' O ' ' D' ' 468' ' ' PHE . 14.0 p -120.18 134.67 24.09 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.651 -0.25 . . . . 10.0 110.424 -179.912 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 472' ' ' PRO . . . . . 0.458 ' O ' HG23 ' D' ' 476' ' ' VAL . 33.8 Cg_exo -61.4 119.71 6.99 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.501 2.134 . . . . 10.0 112.234 179.295 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -52.45 -45.09 65.88 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.706 -0.679 . . . . 10.0 111.881 -179.138 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 33.7 p-80 -61.57 -31.35 71.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.746 -179.317 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 475' ' ' LEU . . . . . 0.452 HD12 ' HG2' ' D' ' 472' ' ' PRO . 23.1 mt -76.3 -35.53 58.79 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.977 -0.379 . . . . 10.0 109.977 179.528 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 476' ' ' VAL . . . . . 0.458 HG23 ' O ' ' D' ' 472' ' ' PRO . 26.8 t -63.95 -41.4 92.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 109.213 -0.662 . . . . 10.0 109.213 178.69 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 78.8 mt -62.96 -35.27 79.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.521 -0.763 . . . . 10.0 110.099 178.927 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -63.89 -50.24 69.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.383 179.329 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -62.71 -40.67 97.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.211 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 480' ' ' LEU . . . . . 0.519 ' HB3' HD22 ' D' ' 457' ' ' LEU . 0.5 OUTLIER -59.94 -22.99 63.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.835 -0.621 . . . . 10.0 111.401 179.88 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -86.51 -15.59 39.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.941 0.4 . . . . 10.0 111.106 179.721 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -101.02 -52.53 3.26 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.075 -179.576 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 66.5 p -83.08 -49.66 9.3 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.946 -179.061 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 69.3 31.62 3.84 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.898 0.749 . . . . 10.0 110.782 179.744 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 2.0 t -147.16 125.58 12.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.149 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 28.4 m -60.35 -33.07 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 CA-C-N 116.631 -0.259 . . . . 10.0 111.642 -179.236 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -63.34 -53.97 44.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.045 0.45 . . . . 10.0 110.447 179.737 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 30.2 mt -65.56 -39.7 85.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.689 -0.687 . . . . 10.0 112.002 -178.694 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 489' ' ' THR . . . . . 0.44 ' O ' HG13 ' D' ' 493' ' ' ILE . 89.5 m -61.23 -53.13 60.77 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.714 0.264 . . . . 10.0 111.714 -179.4 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 1.4 m -64.3 -35.3 80.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.755 0.312 . . . . 10.0 110.579 -179.738 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -66.77 -39.66 87.94 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.491 -0.559 . . . . 10.0 109.491 179.007 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 492' ' ' ASN . . . . . 0.469 ' HB3' ' HB3' ' D' ' 497' ' ' ARG . 21.6 m-20 -59.41 -36.11 75.24 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.631 -0.713 . . . . 10.0 110.618 179.008 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 493' ' ' ILE . . . . . 0.44 HG13 ' O ' ' D' ' 489' ' ' THR . 47.8 mt -71.23 -37.01 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.443 179.185 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 494' ' ' LEU . . . . . 0.533 HD12 HG11 ' B' ' 70' ' ' VAL . 9.9 mt -82.41 12.81 4.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.894 -0.593 . . . . 10.0 111.408 -179.535 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -122.63 -86.13 0.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.081 -0.34 . . . . 10.0 110.081 179.103 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . -176.42 26.46 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.355 -0.926 . . . . 10.0 112.922 179.838 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 497' ' ' ARG . . . . . 0.469 ' HB3' ' HB3' ' D' ' 492' ' ' ASN . 9.6 tpp180 -90.17 -61.02 1.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.784 0.325 . . . . 10.0 110.262 179.927 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 31.7 mt -84.8 109.3 17.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 179.538 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.481 -179.966 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 110.13 -0.322 . . . . 10.0 110.13 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -100.38 136.42 40.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.924 0.392 . . . . 10.0 111.548 -179.235 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.1 pt -126.57 164.85 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.746 -0.661 . . . . 10.0 109.787 178.74 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -122.06 114.46 20.96 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.784 0.326 . . . . 10.0 110.855 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.8 t -101.39 115.22 42.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 179.099 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.1 tttp -107.89 135.09 49.86 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.828 0.347 . . . . 10.0 110.921 -179.303 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.9 p -97.0 172.9 7.56 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.483 179.513 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 67.7 mt -67.02 -13.23 61.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.203 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.58 2.35 56.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.502 . . . . 10.0 111.06 179.864 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.23 -22.5 19.08 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.0 -0.619 . . . . 10.0 112.454 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -58.64 115.74 3.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.899 0.38 . . . . 10.0 110.573 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 m -102.87 128.67 49.55 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.525 -179.521 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mt -111.14 146.83 15.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.708 -179.211 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.7 m -107.37 126.66 52.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.177 179.539 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.8 mt -131.89 138.63 48.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.039 0.447 . . . . 10.0 111.153 -179.624 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -92.29 110.68 22.08 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.566 -0.743 . . . . 10.0 110.112 179.361 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.6 m -132.54 150.25 33.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.047 0.451 . . . . 10.0 110.803 -179.853 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -104.05 158.99 30.76 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.704 -0.68 . . . . 10.0 109.673 179.406 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.7 -15.86 33.92 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.671 2.247 . . . . 10.0 113.062 -179.852 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.99 11.59 29.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.501 -179.831 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -84.66 170.54 13.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.92 0.39 . . . . 10.0 110.281 179.779 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.459 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -121.8 144.37 48.85 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.449 -179.524 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.1 mm -54.96 -41.43 58.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-O 120.907 0.384 . . . . 10.0 110.909 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.54 -42.15 95.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.022 -0.536 . . . . 10.0 110.619 179.179 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -68.76 -39.63 80.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.912 -0.586 . . . . 10.0 110.814 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 22' ' ' THR . 98.0 t -59.62 -42.99 90.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.25 179.277 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -62.64 -34.09 76.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.412 179.39 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.71 -32.86 72.95 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.288 179.109 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -67.94 -41.71 82.1 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.418 -0.586 . . . . 10.0 109.418 178.745 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 54.3 mt -67.98 -35.34 71.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.854 -0.612 . . . . 10.0 109.568 178.711 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -61.07 -36.64 80.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.415 -0.811 . . . . 10.0 111.513 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -79.02 -23.49 44.32 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.414 0.524 . . . . 10.0 112.414 -178.345 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -95.32 -44.85 7.39 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.473 0.546 . . . . 10.0 112.473 -178.674 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -93.9 -26.68 16.77 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.644 0.259 . . . . 10.0 111.658 -178.801 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.87 11.38 63.62 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.616 -0.802 . . . . 10.0 112.523 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.0 mt -87.21 123.13 70.46 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 110.594 -0.151 . . . . 10.0 110.594 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -55.89 138.07 80.8 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.791 2.328 . . . . 10.0 112.457 179.8 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -63.91 -27.57 66.89 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.775 2.317 . . . . 10.0 112.453 -179.489 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -74.26 -20.65 60.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.5 179.773 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -107.87 17.58 22.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.529 -179.343 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -110.54 120.57 42.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.565 -0.743 . . . . 10.0 110.583 -179.833 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -122.71 115.39 21.99 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.99 -0.374 . . . . 10.0 109.99 179.256 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.4 mt -100.22 134.15 43.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.265 -179.249 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mp -125.95 135.28 64.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.137 179.378 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -127.94 117.62 22.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.455 179.407 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.31 21.43 10.91 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.727 -0.669 . . . . 10.0 112.157 179.498 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.99 -6.37 60.0 Favored Glycine 0 CA--C 1.517 0.165 0 C-N-CA 120.738 -0.744 . . . . 10.0 112.847 179.609 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -105.6 130.72 53.58 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.864 -0.421 . . . . 10.0 109.864 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -76.54 137.3 39.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.746 0.307 . . . . 10.0 110.309 -179.631 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.2 mt -89.52 130.29 35.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.986 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.474 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 32.6 mt-10 -82.25 153.03 26.09 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.814 -0.439 . . . . 10.0 109.814 179.231 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.83 -48.62 80.95 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.246 -0.433 . . . . 10.0 111.829 -179.256 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.9 54.76 4.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.796 -0.716 . . . . 10.0 113.014 -179.148 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.474 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 24.8 mmt180 -138.82 161.63 36.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 10.0 110.37 179.551 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 81.4 p -104.39 174.72 5.75 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.174 179.17 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.4 mt -73.1 -35.02 66.51 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.175 0.512 . . . . 10.0 110.069 179.415 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.38 -22.59 63.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.759 -0.655 . . . . 10.0 111.112 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.9 m-20 -58.75 -34.02 70.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.54 -179.855 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -109.17 18.43 20.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.448 -179.325 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.6 t30 58.96 34.32 23.54 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.7 mt -79.13 119.13 27.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.475 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -104.91 -167.85 1.4 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.611 -0.722 . . . . 10.0 109.613 179.319 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -75.34 159.66 31.19 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.316 -0.253 . . . . 10.0 110.316 179.263 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 62.81 30.21 16.67 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.885 179.273 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.5 m -94.86 142.07 27.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.76 0.314 . . . . 10.0 110.513 179.613 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.47 116.49 31.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.835 -179.919 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mp -101.22 137.57 39.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.961 -0.563 . . . . 10.0 109.676 179.797 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -97.81 121.43 39.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.256 -179.517 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.6 tp -104.55 117.88 35.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.587 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.1 t -103.35 134.22 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.438 179.854 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.8 mt . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.783 -179.841 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.597 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 23.2 ptt? . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 120.915 0.388 . . . . 10.0 110.156 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -84.02 135.67 34.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.882 -179.252 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.9 pt -132.64 164.97 33.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.577 178.506 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.482 ' O ' ' HA ' ' B' ' 66' ' ' THR . 56.7 m-85 -125.72 121.18 32.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.696 -0.229 . . . . 10.0 110.559 -179.75 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 45.6 t -105.83 125.12 61.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.581 0.229 . . . . 10.0 110.411 179.7 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.5 ' HE2' ' OE1' ' D' ' 466' ' ' GLU . 45.7 tttp -102.77 142.43 33.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.857 0.361 . . . . 10.0 110.615 -179.821 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 16.6 p -118.13 162.09 18.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.594 179.825 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.4 HD22 ' HB ' ' D' ' 486' ' ' VAL . 18.0 mt -66.28 -15.9 63.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.057 0.456 . . . . 10.0 111.148 179.329 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.63 -2.33 57.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.833 179.491 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.62 26.49 58.86 Favored Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 115.88 -0.6 . . . . 10.0 112.604 179.572 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 35.2 tttm -108.98 126.91 53.6 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.166 -0.309 . . . . 10.0 110.166 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -96.83 123.07 40.43 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.368 179.756 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 28.4 mt -106.41 131.65 55.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.904 -179.168 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.93 131.94 49.51 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.089 -0.505 . . . . 10.0 109.717 179.332 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.477 HD11 HG12 ' B' ' 30' ' ' ILE . 9.2 mt -137.78 156.72 47.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.173 0.511 . . . . 10.0 111.994 -179.052 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -106.11 107.7 18.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.989 -1.005 . . . . 10.0 108.48 178.326 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.597 ' O ' ' HG2' ' B' ' 1' ' ' MET . 14.4 m -135.72 145.17 31.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.988 -178.654 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.553 ' O ' HD12 ' B' ' 56' ' ' LEU . 25.8 mm-40 -96.9 155.14 37.93 Favored Pre-proline 0 C--N 1.318 -0.779 0 N-CA-C 109.603 -0.518 . . . . 10.0 109.603 178.961 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -56.96 -22.82 48.37 Favored 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 122.461 2.107 . . . . 10.0 112.643 -179.896 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.86 12.66 29.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.867 -179.531 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -84.51 153.44 23.29 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.936 -0.394 . . . . 10.0 109.936 179.579 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.51 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.6 OUTLIER -92.07 148.63 22.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.544 -0.298 . . . . 10.0 111.336 -179.115 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 46.3 mm -58.31 -44.32 88.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.647 179.716 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.27 -34.71 74.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.657 179.662 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -71.4 -37.14 71.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.346 179.731 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.51 HG23 ' O ' ' B' ' 22' ' ' THR . 57.7 t -61.12 -41.39 89.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.421 -0.585 . . . . 10.0 109.421 178.586 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -66.44 -31.04 71.54 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.694 -0.685 . . . . 10.0 110.114 179.122 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.31 -33.73 76.4 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.19 0.519 . . . . 10.0 110.069 178.843 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -69.87 -38.86 76.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.768 179.112 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.477 HG12 HD11 ' B' ' 15' ' ' LEU . 45.1 mt -71.35 -32.56 47.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.575 0.702 . . . . 10.0 109.119 178.214 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.504 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 37.3 tt0 -64.52 -32.26 73.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.997 -1.001 . . . . 10.0 110.215 179.211 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -81.83 -41.3 21.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.994 179.875 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -69.53 -64.06 0.95 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.95 -0.568 . . . . 10.0 112.401 -179.152 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -83.38 -44.66 14.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.418 -0.355 . . . . 10.0 111.468 -178.467 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.504 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 100.6 41.8 2.64 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.552 -0.832 . . . . 10.0 112.076 -179.372 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 58.9 mt -107.69 125.37 32.38 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 110.525 -0.176 . . . . 10.0 110.525 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.22 138.63 54.66 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.859 2.373 . . . . 10.0 112.387 179.443 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.06 -17.06 54.47 Favored 'Trans proline' 0 C--O 1.236 0.375 0 C-N-CA 122.624 2.216 . . . . 10.0 112.411 -179.026 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -73.71 -33.1 64.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.722 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -93.64 -16.19 24.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.88 -179.422 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -74.72 93.78 2.62 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.667 -179.776 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.442 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 12.0 mtp180 -101.1 102.15 13.04 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.852 -0.795 . . . . 10.0 108.852 178.31 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.411 ' HB3' HD12 ' B' ' 50' ' ' LEU . 11.2 mt -83.83 134.63 34.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.995 0.426 . . . . 10.0 111.961 -178.609 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.2 mp -127.16 142.36 43.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.439 -0.8 . . . . 10.0 109.765 179.319 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.456 ' HB3' HD21 ' B' ' 50' ' ' LEU . 59.2 t80 -137.1 109.34 7.28 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.775 -0.454 . . . . 10.0 109.775 179.231 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.35 31.03 10.77 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.425 179.724 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.03 -6.55 79.03 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.656 -0.783 . . . . 10.0 113.338 179.189 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -109.12 140.65 42.41 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 122.633 -0.334 . . . . 10.0 110.185 179.879 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.05 143.43 43.48 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 110.209 -0.293 . . . . 10.0 110.209 179.859 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.456 HD21 ' HB3' ' B' ' 45' ' ' PHE . 81.3 mt -92.13 115.08 27.76 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.244 179.793 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.422 ' HB3' ' CG ' ' B' ' 54' ' ' ARG . 38.6 tt0 -67.38 122.29 17.6 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 178.867 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -53.57 -33.36 54.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.599 -0.728 . . . . 10.0 112.536 -177.939 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.78 24.4 6.7 Favored Glycine 0 CA--C 1.521 0.432 0 C-N-CA 120.88 -0.676 . . . . 10.0 113.745 -179.236 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.422 ' CG ' ' HB3' ' B' ' 51' ' ' GLU . 26.8 mmm-85 -122.56 171.56 9.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 117.335 0.567 . . . . 10.0 110.247 179.406 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.448 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 62.8 p -105.58 175.29 5.55 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.284 179.356 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.553 HD12 ' O ' ' B' ' 18' ' ' GLU . 78.1 mt -68.24 -29.75 68.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.113 0.482 . . . . 10.0 110.282 178.937 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 67.4 m -73.07 -19.13 61.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.842 179.857 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.4 m-20 -65.68 -28.58 69.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.712 179.566 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -116.56 14.76 15.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.856 -179.492 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 57.67 32.21 21.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.686 -0.688 . . . . 10.0 112.026 179.294 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 92.0 mt -69.98 122.88 22.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 179.306 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -113.18 -167.62 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.079 0.466 . . . . 10.0 111.201 -178.518 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 6.2 pttp -73.61 147.08 44.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.328 179.557 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 65.54 11.92 7.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.511 -0.768 . . . . 10.0 112.153 179.484 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 67.0 m -76.82 137.53 39.29 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.894 0.378 . . . . 10.0 110.011 179.177 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.482 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 2.0 m -93.8 124.98 38.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.923 -0.58 . . . . 10.0 111.242 -179.551 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 mp -106.1 154.2 20.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.774 179.499 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.477 ' HB3' ' SD ' ' D' ' 467' ' ' MET . 29.3 m80 -111.97 130.46 55.85 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.515 -0.311 . . . . 10.0 110.234 -179.924 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 50.1 tp -115.02 113.49 24.16 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.829 0.347 . . . . 10.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.442 ' HB ' ' HB2' ' B' ' 42' ' ' ARG . 58.8 t -92.86 125.07 45.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.436 179.842 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 49.1 mt -88.72 105.28 17.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.406 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.468 ' HD2' ' OD1' ' D' ' 491' ' ' ASP . 18.6 ttt85 . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.615 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.372 0 CA-C-O 120.793 0.33 . . . . 10.0 110.337 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -66.57 -36.56 82.94 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.838 -0.43 . . . . 10.0 109.838 179.314 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 77.2 mt -64.41 -42.94 95.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.899 -0.592 . . . . 10.0 110.035 179.147 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 -61.69 -46.31 90.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.168 179.734 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.99 -41.51 97.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.967 -0.56 . . . . 10.0 111.005 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 43.1 mtm -64.73 -36.16 83.39 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -67.15 -30.92 71.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.24 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 462' ' ' HIS . . . . . 0.442 ' O ' ' HG3' ' D' ' 466' ' ' GLU . 67.8 t60 -59.53 -43.86 93.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.795 -179.724 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.51 -33.61 70.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.18 0.514 . . . . 10.0 111.276 -179.673 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 84.6 mt -77.24 -35.64 22.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.363 179.712 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -65.77 -29.86 70.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.634 179.677 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 466' ' ' GLU . . . . . 0.5 ' OE1' ' HE2' ' B' ' 6' ' ' LYS . 57.1 mt-10 -67.22 -23.4 65.72 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.514 179.252 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 467' ' ' MET . . . . . 0.477 ' SD ' ' HB3' ' B' ' 68' ' ' HIS . 32.3 mtm -99.82 -37.28 9.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.716 -179.551 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 468' ' ' PHE . . . . . 0.428 ' O ' HG12 ' D' ' 471' ' ' VAL . 25.4 m-85 -118.51 90.8 40.12 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.192 179.453 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo -82.82 3.08 8.09 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.7 2.267 . . . . 10.0 112.371 -179.383 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -116.12 27.33 9.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.126 -179.738 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 471' ' ' VAL . . . . . 0.459 ' HA ' ' HD3' ' D' ' 472' ' ' PRO . 6.2 p -123.52 137.11 28.02 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.233 -0.439 . . . . 10.0 109.945 179.299 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 472' ' ' PRO . . . . . 0.57 ' HG2' HD12 ' D' ' 475' ' ' LEU . 22.8 Cg_exo -66.79 126.1 14.8 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.534 2.156 . . . . 10.0 112.696 179.516 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -55.12 -45.98 75.56 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.471 -0.786 . . . . 10.0 111.724 -179.483 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 44.7 p-80 -64.83 -25.02 67.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.784 -179.295 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 475' ' ' LEU . . . . . 0.57 HD12 ' HG2' ' D' ' 472' ' ' PRO . 12.4 mt -80.42 -33.6 36.8 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.074 -0.343 . . . . 10.0 110.074 179.315 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 89.6 t -67.61 -40.04 83.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 108.652 -0.87 . . . . 10.0 108.652 178.185 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 477' ' ' LEU . . . . . 0.449 ' O ' ' HG3' ' D' ' 481' ' ' GLN . 66.1 mt -64.68 -21.39 66.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.149 -0.932 . . . . 10.0 110.709 178.906 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -70.65 -52.43 21.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.236 179.609 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -67.22 -35.25 79.2 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.976 0.417 . . . . 10.0 110.253 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -25.37 62.83 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.749 -0.659 . . . . 10.0 111.226 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 481' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' D' ' 477' ' ' LEU . 77.8 mt-30 -85.25 -15.42 43.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.701 0.286 . . . . 10.0 111.218 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 482' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' D' ' 482' ' ' LEU . 2.1 mm? -98.06 -58.19 2.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.472 -0.331 . . . . 10.0 110.955 -179.524 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 46.9 p -77.62 -44.07 29.48 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.826 0.346 . . . . 10.0 110.658 -179.376 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 68.77 32.7 3.98 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.348 -0.842 . . . . 10.0 111.117 179.532 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 1.9 t -147.43 115.34 6.47 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.355 -0.839 . . . . 10.0 109.127 179.278 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 486' ' ' VAL . . . . . 0.4 ' HB ' HD22 ' B' ' 8' ' ' LEU . 13.0 m -58.12 -33.2 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.371 . . . . 10.0 111.335 -179.651 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 30.1 mp0 -63.28 -52.45 61.95 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.816 179.458 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 488' ' ' ILE . . . . . 0.408 ' O ' ' HB2' ' D' ' 492' ' ' ASN . 60.6 mt -67.09 -40.29 85.05 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.531 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.115 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 489' ' ' THR . . . . . 0.558 ' O ' HG13 ' D' ' 493' ' ' ILE . 65.1 m -57.79 -57.46 12.64 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.082 0.401 . . . . 10.0 112.082 -179.014 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 490' ' ' THR . . . . . 0.45 HG21 ' CE ' ' D' ' 467' ' ' MET . 2.5 m -58.21 -40.1 80.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.126 0.488 . . . . 10.0 111.1 -179.174 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 491' ' ' ASP . . . . . 0.468 ' OD1' ' HD2' ' B' ' 72' ' ' ARG . 6.6 t70 -68.43 -42.07 79.44 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.335 -0.848 . . . . 10.0 110.455 179.664 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 492' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' D' ' 488' ' ' ILE . 53.7 t30 -62.5 -29.36 70.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.383 -0.826 . . . . 10.0 110.633 179.367 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 493' ' ' ILE . . . . . 0.558 HG13 ' O ' ' D' ' 489' ' ' THR . 89.9 mt -63.29 -39.09 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.137 0 N-CA-C 109.329 -0.619 . . . . 10.0 109.329 178.338 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.11 -21.46 65.85 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.557 179.12 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -77.86 -16.52 58.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.83 179.629 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 93.33 14.48 53.79 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.801 -0.714 . . . . 10.0 112.873 179.834 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.73 -46.3 63.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.205 0.526 . . . . 10.0 110.508 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 3.0 mp -81.65 128.8 38.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.317 179.472 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 69.4 mm-40 . . . . . 0 C--N 1.324 -0.502 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.817 -179.439 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.51 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 26.2 ptt? . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.678 0.275 . . . . 10.0 110.359 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -101.0 129.68 46.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.626 179.798 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.2 pt -123.75 160.99 26.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.142 -0.481 . . . . 10.0 109.947 179.176 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.478 ' O ' ' HA ' ' A' ' 66' ' ' THR . 88.6 m-85 -122.64 122.8 39.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.636 0.255 . . . . 10.0 110.763 -179.443 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.8 t -109.14 120.32 60.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.796 -0.446 . . . . 10.0 109.796 179.271 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.2 mttp -106.85 135.35 48.55 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.994 0.425 . . . . 10.0 110.981 -179.502 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 69.0 p -97.33 176.53 5.86 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.358 179.279 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.8 mt -77.9 -7.12 56.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.028 0.442 . . . . 10.0 110.466 179.463 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.77 2.7 52.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.429 -179.767 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.24 27.5 44.13 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.996 -0.621 . . . . 10.0 112.398 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -101.15 125.88 47.81 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.277 -0.268 . . . . 10.0 110.277 -179.754 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.5 m -105.86 102.52 11.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.121 0.486 . . . . 10.0 110.404 179.687 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.4 mp -91.59 121.65 42.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.599 -179.806 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.86 134.83 33.99 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.494 179.052 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.52 147.48 37.85 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.557 0.218 . . . . 10.0 111.204 -179.183 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -113.96 108.43 17.02 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 178.771 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.51 ' O ' ' HG2' ' A' ' 1' ' ' MET . 2.8 m -138.04 -176.36 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.571 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.499 ' O ' HD12 ' A' ' 56' ' ' LEU . 16.1 mm-40 -132.7 160.03 70.07 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 110.255 -0.276 . . . . 10.0 110.255 179.717 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.527 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 50.7 Cg_exo -54.17 -27.21 45.7 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.851 2.367 . . . . 10.0 113.438 -179.869 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.77 0.18 44.89 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.207 0.447 . . . . 10.0 112.207 -179.396 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.83 140.12 35.59 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.889 0.376 . . . . 10.0 110.414 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -81.1 140.29 35.15 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.943 -0.572 . . . . 10.0 110.3 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.5 mm -54.51 -40.75 51.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 120.799 0.333 . . . . 10.0 111.331 -179.713 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.87 -41.76 87.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.414 179.309 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -67.49 -36.39 81.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.965 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.409 ' O ' HG13 ' A' ' 30' ' ' ILE . 86.3 t -61.71 -47.38 93.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.841 178.826 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -63.98 -36.02 82.59 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.197 179.295 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.32 -29.58 70.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.651 179.532 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -76.29 -35.3 58.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.151 179.078 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 26' ' ' VAL . 66.2 mt -67.24 -34.03 66.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.036 179.273 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -65.43 -31.42 72.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.728 179.579 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -78.15 -35.42 48.92 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.166 179.744 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -70.8 -61.38 1.79 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.997 179.566 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -88.79 -70.68 0.63 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.969 -179.07 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.8 44.36 0.13 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 10.0 112.126 -179.688 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.415 HG21 HD22 ' A' ' 71' ' ' LEU . 41.3 mt -114.57 126.64 27.69 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 110.478 -0.193 . . . . 10.0 110.478 -179.324 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.69 139.26 58.47 Favored 'Trans proline' 0 CA--C 1.533 0.436 0 C-N-CA 122.837 2.358 . . . . 10.0 112.377 179.434 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -65.65 -17.19 56.26 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.772 2.315 . . . . 10.0 112.157 -179.473 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -76.56 -33.21 58.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.573 -0.739 . . . . 10.0 110.364 179.398 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -95.09 -6.41 42.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.676 -179.558 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -84.75 111.72 19.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.85 -0.614 . . . . 10.0 111.918 -179.189 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.2 mtt180 -117.24 110.89 18.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.068 178.871 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 70.5 mt -98.1 126.88 43.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.114 -0.493 . . . . 10.0 111.264 -179.835 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -121.81 134.48 64.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.626 179.46 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -130.92 118.5 20.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.533 -0.303 . . . . 10.0 110.596 179.782 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.09 25.05 13.43 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.944 -0.571 . . . . 10.0 112.11 179.257 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.58 -17.14 58.83 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.894 -0.669 . . . . 10.0 112.57 179.873 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -94.91 132.59 39.57 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.034 0.445 . . . . 10.0 111.056 -179.719 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -79.1 133.12 36.77 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.343 179.325 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.6 mt -83.9 123.43 29.93 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.798 0.333 . . . . 10.0 110.742 -179.251 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.511 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 6.1 mt-10 -80.92 145.72 31.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.326 179.789 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -55.97 -49.12 74.45 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.654 0.613 . . . . 10.0 112.654 -178.797 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.77 32.88 3.36 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 120.731 -0.747 . . . . 10.0 114.641 -177.631 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.511 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 41.3 mmt-85 -124.63 167.15 14.91 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 117.665 0.732 . . . . 10.0 110.326 179.341 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.1 p -107.98 165.04 11.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.502 -0.317 . . . . 10.0 110.924 179.69 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.527 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 90.7 mt -63.5 -31.08 72.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.149 -179.848 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 p -70.99 -18.84 62.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.747 -179.574 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -66.57 -30.61 70.95 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.849 0.357 . . . . 10.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -107.03 13.05 27.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.487 -179.602 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 59.0 32.33 22.18 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.273 -0.876 . . . . 10.0 111.56 -179.693 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.0 mt -73.78 111.17 8.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.837 -0.431 . . . . 10.0 109.837 179.73 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -103.2 -164.93 1.12 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.628 -179.287 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -74.68 155.38 37.8 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.695 0.283 . . . . 10.0 111.256 -179.724 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 65.15 13.74 8.93 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.655 -0.702 . . . . 10.0 112.401 179.656 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.3 m -78.67 145.18 34.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.734 0.302 . . . . 10.0 110.549 179.821 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.478 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 72.1 m -106.22 119.62 39.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.779 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 mp -102.08 147.91 26.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.637 -0.71 . . . . 10.0 109.645 179.63 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 22.9 m80 -104.85 128.88 53.2 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.981 -0.377 . . . . 10.0 109.981 179.9 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.1 tp -109.12 112.36 24.49 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.052 0.453 . . . . 10.0 111.11 -179.611 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.4 t -105.66 133.29 50.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.677 -0.692 . . . . 10.0 109.186 178.928 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.415 HD22 HG21 ' A' ' 36' ' ' ILE . 61.8 mt . . . . . 0 C--N 1.323 -0.586 0 CA-C-O 120.716 0.293 . . . . 10.0 110.849 -179.244 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptt? . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 110.154 -0.313 . . . . 10.0 110.154 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 60.4 mm-40 -107.75 145.34 33.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.845 0.355 . . . . 10.0 111.543 -179.149 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 23.3 pt -130.98 161.07 41.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.675 178.624 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -114.36 108.24 16.63 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.655 0.264 . . . . 10.0 110.871 -179.287 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 83.5 t -95.58 118.07 41.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.441 -0.577 . . . . 10.0 109.441 178.877 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -103.22 139.1 39.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.046 0.45 . . . . 10.0 111.051 -178.879 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 7.9 p -111.68 168.08 9.84 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.749 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 28.0 mt -69.51 -13.07 62.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.163 179.804 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.83 -1.31 57.12 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.615 179.398 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.83 12.46 79.8 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.95 -0.568 . . . . 10.0 112.485 179.587 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -94.73 128.52 41.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.614 0.245 . . . . 10.0 110.401 -179.885 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.8 m -108.26 111.37 23.29 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 179.413 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mt -99.72 129.99 49.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.967 -0.56 . . . . 10.0 111.202 -178.244 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -94.71 129.37 41.65 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.276 -0.639 . . . . 10.0 109.276 178.457 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mp -131.85 153.17 50.46 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.946 0.403 . . . . 10.0 111.596 -179.229 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -94.83 118.05 31.13 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.405 -0.816 . . . . 10.0 109.807 179.571 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 14.0 m -137.54 165.91 25.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.602 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.554 ' O ' HD12 ' B' ' 56' ' ' LEU . 75.3 mm-40 -119.24 154.59 53.82 Favored Pre-proline 0 C--N 1.32 -0.702 0 N-CA-C 109.454 -0.573 . . . . 10.0 109.454 179.684 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -57.1 -29.5 83.45 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.319 2.013 . . . . 10.0 112.605 -179.713 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.88 4.64 51.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.151 -0.477 . . . . 10.0 111.561 -179.719 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -71.42 140.25 50.02 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.874 -0.417 . . . . 10.0 109.874 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.3 m -81.95 143.02 31.93 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.776 -179.405 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 50.8 mm -55.59 -35.61 39.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 116.255 -0.429 . . . . 10.0 111.207 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.52 -36.31 75.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.747 179.473 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.43 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 97.6 m-20 -65.73 -38.6 89.6 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 179.615 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 28.8 t -61.68 -42.09 92.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.749 -0.66 . . . . 10.0 109.915 179.492 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -58.56 -42.23 87.46 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.692 -0.685 . . . . 10.0 110.246 179.425 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.4 -39.59 85.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.872 179.741 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 98.9 mttt -63.42 -42.43 98.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.601 179.791 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 90.7 mt -64.94 -34.95 73.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.094 0.473 . . . . 10.0 110.175 179.298 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.406 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 61.2 tt0 -66.85 -29.79 69.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.689 179.741 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -76.55 -18.32 58.75 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.863 0.363 . . . . 10.0 111.061 179.864 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -98.18 -55.91 2.63 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.321 -0.399 . . . . 10.0 111.346 -179.616 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -85.81 -38.05 18.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.163 0.506 . . . . 10.0 111.467 -179.128 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 98.94 2.01 57.18 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.913 -0.66 . . . . 10.0 111.943 -178.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.9 mt -78.78 120.64 81.64 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 110.205 -0.295 . . . . 10.0 110.205 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 32.0 Cg_exo -58.36 143.96 96.86 Favored 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 122.521 2.148 . . . . 10.0 111.918 179.183 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 48.0 Cg_exo -55.72 -25.11 49.51 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.215 2.61 . . . . 10.0 113.037 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -68.5 -17.24 64.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.436 . . . . 10.0 111.079 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -114.52 9.58 16.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.389 -179.844 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -100.98 126.26 47.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.331 -179.317 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -123.36 106.09 10.38 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.143 -0.481 . . . . 10.0 109.793 178.932 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 37.5 mt -93.06 123.19 36.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.983 -178.898 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.414 HG12 ' CZ ' ' D' ' 468' ' ' PHE . 1.6 mp -119.39 133.98 64.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.479 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.759 ' HB3' HD21 ' B' ' 50' ' ' LEU . 81.1 t80 -137.14 129.57 29.87 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.306 -0.627 . . . . 10.0 109.306 179.203 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.59 34.46 22.33 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.022 -0.535 . . . . 10.0 111.482 -179.754 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.63 26.24 70.19 Favored Glycine 0 C--N 1.332 0.33 0 CA-C-N 115.96 -0.564 . . . . 10.0 113.799 178.953 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -147.39 159.83 43.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.948 0.374 . . . . 10.0 110.702 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -83.14 154.67 24.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.934 0.397 . . . . 10.0 111.647 -179.491 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.759 HD21 ' HB3' ' B' ' 45' ' ' PHE . 28.0 mt -112.67 135.43 53.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.614 179.033 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.48 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 7.4 mt-10 -83.04 147.07 28.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.831 0.348 . . . . 10.0 110.288 179.816 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.62 -29.97 69.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.359 -179.192 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.11 37.7 3.3 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.796 -0.716 . . . . 10.0 112.693 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.48 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 33.3 mmt180 -134.07 166.25 23.18 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.052 -0.351 . . . . 10.0 110.052 179.436 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.565 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 35.6 p -106.89 171.82 7.16 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.871 178.845 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.554 HD12 ' O ' ' B' ' 18' ' ' GLU . 88.3 mt -68.48 -38.4 80.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.939 0.399 . . . . 10.0 110.693 179.835 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 24.6 m -69.25 -12.84 62.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.134 179.864 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.565 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.0 OUTLIER -66.61 -34.55 78.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.053 0.454 . . . . 10.0 110.544 179.705 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -108.83 19.5 19.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.19 -179.225 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 61.2 31.52 19.54 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.328 179.633 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 82.8 mt -78.88 117.66 24.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.016 0.436 . . . . 10.0 110.643 -179.519 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -102.5 -169.68 1.7 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.21 179.636 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -80.85 157.96 25.51 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.596 -0.52 . . . . 10.0 109.596 178.793 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 67.13 18.72 10.45 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.62 0.575 . . . . 10.0 111.112 -179.891 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.8 m -87.62 150.9 23.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.473 -0.33 . . . . 10.0 110.408 179.614 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.7 m -102.15 127.8 48.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.07 179.759 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mp -111.43 133.67 53.56 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 179.441 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -92.31 119.29 31.74 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.565 -0.289 . . . . 10.0 110.692 -179.511 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 44.8 tp -101.68 101.01 11.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.116 0.484 . . . . 10.0 110.031 179.061 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 53.5 t -83.12 127.73 39.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.584 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 49.5 mt -82.86 146.55 28.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.987 179.712 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.418 ' HG3' ' CG ' ' D' ' 491' ' ' ASP . 26.3 ttt180 . . . . . 0 C--N 1.322 -0.604 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.559 179.854 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 121.004 0.431 . . . . 10.0 110.525 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -64.15 -39.45 94.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.193 179.307 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 42.6 mt -67.61 -45.4 75.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.08 179.53 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -59.73 -43.42 94.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.465 179.371 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -65.39 -44.76 86.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.122 179.836 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 57.1 mtm -65.23 -43.41 91.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.57 -38.46 91.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.497 179.605 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -58.76 -38.62 78.84 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.889 179.136 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -68.38 -38.98 81.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.394 179.514 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 76.7 mt -68.15 -35.0 69.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.481 179.696 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -61.41 -28.36 69.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.115 -179.807 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -86.91 -6.66 58.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.048 0.451 . . . . 10.0 110.816 179.507 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 74.4 mmm -94.58 -39.21 10.49 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 179.172 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 468' ' ' PHE . . . . . 0.524 ' O ' HG12 ' D' ' 471' ' ' VAL . 0.9 OUTLIER -131.77 88.03 43.53 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.993 179.095 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -75.97 31.53 0.39 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.681 2.254 . . . . 10.0 112.93 -179.492 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -133.8 14.01 4.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.236 -179.765 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 471' ' ' VAL . . . . . 0.524 HG12 ' O ' ' D' ' 468' ' ' PHE . 11.4 p -119.41 135.92 24.29 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.178 -179.843 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 472' ' ' PRO . . . . . 0.443 ' O ' HG23 ' D' ' 476' ' ' VAL . 31.7 Cg_exo -60.82 116.48 3.38 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 122.569 2.179 . . . . 10.0 112.267 179.389 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -54.38 -41.21 68.95 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.798 -0.637 . . . . 10.0 112.282 -179.031 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -64.42 -25.69 68.13 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.681 0.276 . . . . 10.0 111.514 -179.461 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 475' ' ' LEU . . . . . 0.409 HD12 ' HG2' ' D' ' 472' ' ' PRO . 24.0 mt -83.95 -31.18 25.71 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.682 -0.488 . . . . 10.0 109.682 179.184 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 476' ' ' VAL . . . . . 0.443 HG23 ' O ' ' D' ' 472' ' ' PRO . 58.2 t -66.14 -46.95 86.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 178.687 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.01 -25.66 68.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.45 -0.796 . . . . 10.0 110.394 179.351 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -68.54 -45.72 71.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.152 179.268 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -66.04 -34.08 77.26 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 179.433 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -61.26 -17.86 55.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.449 -0.796 . . . . 10.0 111.224 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -83.5 -18.93 36.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.889 0.376 . . . . 10.0 110.837 179.334 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -103.66 -47.18 4.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.63 -178.969 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 55.6 p -87.11 -50.02 6.91 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.636 -0.256 . . . . 10.0 111.49 -179.041 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 20.1 mtt180 66.53 27.38 9.7 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.099 -0.501 . . . . 10.0 111.237 179.838 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 3.9 t -147.47 128.63 14.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.939 0.399 . . . . 10.0 110.851 -179.67 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 19.8 m -66.7 -24.13 32.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.844 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -75.45 -11.88 60.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.29 -179.78 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 33.4 mt -109.04 -48.38 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.387 -0.369 . . . . 10.0 110.397 179.475 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 489' ' ' THR . . . . . 0.548 ' O ' HG13 ' D' ' 493' ' ' ILE . 35.4 m -55.76 -59.29 5.07 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.39 -0.368 . . . . 10.0 111.657 -179.553 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -35.02 74.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.482 -179.229 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 491' ' ' ASP . . . . . 0.418 ' CG ' ' HG3' ' B' ' 72' ' ' ARG . 0.0 OUTLIER -68.33 -52.44 33.36 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.646 -0.502 . . . . 10.0 109.646 178.776 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' D' D ' 492' ' ' ASN . . . . . 0.433 ' HB3' ' HB3' ' D' ' 497' ' ' ARG . 1.1 m-80 -60.81 -20.14 60.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.21 -0.905 . . . . 10.0 111.74 -179.845 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 493' ' ' ILE . . . . . 0.548 HG13 ' O ' ' D' ' 489' ' ' THR . 34.3 mt -64.7 -42.45 95.07 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 N-CA-C 109.384 -0.599 . . . . 10.0 109.384 178.116 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 5.6 mt -77.91 -12.93 60.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.204 179.56 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -84.82 -56.0 3.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.848 -0.614 . . . . 10.0 110.636 179.639 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 140.0 26.91 0.23 Allowed Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.629 -0.796 . . . . 10.0 112.732 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 497' ' ' ARG . . . . . 0.433 ' HB3' ' HB3' ' D' ' 492' ' ' ASN . 22.7 tpp180 -79.82 -53.41 6.81 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.59 -0.522 . . . . 10.0 109.59 179.189 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 4.5 mp -86.94 124.9 40.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.403 179.394 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 . . . . . 0 C--N 1.325 -0.489 0 CA-C-O 121.084 0.468 . . . . 10.0 111.164 -179.322 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.482 1.135 0 CA-C-O 120.624 0.25 . . . . 10.0 110.524 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -102.15 143.54 31.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.819 0.342 . . . . 10.0 111.383 -179.468 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.5 pt -132.61 163.0 38.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 177.979 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.516 ' O ' ' HA ' ' A' ' 66' ' ' THR . 47.3 m-85 -118.9 118.66 32.14 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.82 0.343 . . . . 10.0 110.898 -179.431 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.7 t -101.9 114.98 42.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.817 -0.438 . . . . 10.0 109.817 179.294 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -99.8 128.71 45.88 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.105 0.478 . . . . 10.0 110.69 -179.643 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.3 p -96.54 168.79 10.32 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.656 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.2 mt -64.45 -21.27 66.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.182 0.515 . . . . 10.0 110.271 179.106 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.82 -15.23 60.75 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.194 -0.912 . . . . 10.0 111.087 179.608 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.71 -1.96 64.14 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.845 -0.693 . . . . 10.0 111.714 -179.109 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -80.69 125.56 30.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.669 0.271 . . . . 10.0 110.316 -179.799 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -105.19 115.96 31.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.418 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.9 mt -103.41 128.94 56.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.728 -179.392 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.3 m -89.02 125.81 35.15 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.6 -0.518 . . . . 10.0 109.6 178.69 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.3 mt -123.17 146.99 47.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.871 0.367 . . . . 10.0 111.469 -179.28 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -97.71 112.72 24.49 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.684 178.851 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.8 m -135.76 -178.94 2.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.681 -0.691 . . . . 10.0 110.377 -179.541 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.479 ' O ' HD12 ' A' ' 56' ' ' LEU . 15.8 mm-40 -131.86 156.95 79.47 Favored Pre-proline 0 C--N 1.319 -0.722 0 N-CA-C 109.151 -0.685 . . . . 10.0 109.151 179.285 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.97 -36.93 93.62 Favored 'Trans proline' 0 CA--C 1.528 0.214 0 C-N-CA 122.081 1.854 . . . . 10.0 112.615 -179.768 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.04 15.9 4.67 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.234 0.457 . . . . 10.0 112.234 -179.117 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -81.7 146.56 29.95 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.196 -0.298 . . . . 10.0 110.196 179.597 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.42 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -89.95 144.81 25.6 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.809 -179.506 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.402 HG12 ' O ' ' A' ' 54' ' ' ARG . 44.8 mm -57.7 -40.0 73.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.871 0.367 . . . . 10.0 110.8 179.715 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -62.1 -36.31 81.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.269 179.187 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -69.32 -36.96 77.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.723 179.5 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 22' ' ' THR . 95.5 t -64.72 -38.53 82.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.527 -0.76 . . . . 10.0 109.827 178.917 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.411 ' HD2' ' OD2' ' A' ' 52' ' ' ASP . 86.5 mttt -59.21 -41.17 87.95 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.477 178.819 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.44 -34.01 77.21 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.326 179.362 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -68.36 -37.87 80.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.893 -0.594 . . . . 10.0 109.846 179.091 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 88.1 mt -70.43 -37.03 69.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.284 -0.635 . . . . 10.0 109.284 178.514 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.417 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 64.6 tt0 -67.04 -27.48 67.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.729 -0.669 . . . . 10.0 109.847 178.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -69.67 -40.26 76.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.051 178.86 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -78.81 -61.93 1.86 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.822 -0.626 . . . . 10.0 111.796 -179.257 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -79.34 -47.66 15.42 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -177.928 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 108.68 -9.54 34.88 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.62 -0.8 . . . . 10.0 111.814 -179.05 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.0 mt -68.63 123.98 89.03 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.761 -0.219 . . . . 10.0 111.022 -179.746 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 50.9 Cg_exo -55.7 147.78 58.45 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 123.097 2.531 . . . . 10.0 112.958 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 39.6 Cg_exo -60.05 -21.4 65.16 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.093 2.529 . . . . 10.0 112.861 -179.608 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.61 -25.68 64.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.06 -179.66 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -103.1 6.76 38.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.67 -179.266 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -99.86 118.65 36.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.81 -179.198 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -122.25 97.71 5.6 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 177.914 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.1 mt -85.39 132.73 34.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.009 -0.541 . . . . 10.0 111.49 -179.023 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mt -129.48 135.38 61.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.973 179.719 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.401 ' HB3' HD21 ' A' ' 50' ' ' LEU . 71.9 t80 -131.37 124.82 31.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.295 -0.411 . . . . 10.0 110.375 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.14 11.94 4.71 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 123.71 0.631 . . . . 10.0 112.333 179.041 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.51 -11.42 35.96 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.796 -0.716 . . . . 10.0 112.672 179.742 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -102.73 142.99 32.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.787 0.293 . . . . 10.0 110.582 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -82.26 137.22 34.92 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.411 -0.588 . . . . 10.0 109.411 179.127 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.401 HD21 ' HB3' ' A' ' 45' ' ' PHE . 20.7 mt -85.82 138.12 32.29 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.818 -179.362 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -92.46 135.24 34.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.05 -0.523 . . . . 10.0 109.895 178.796 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.411 ' OD2' ' HD2' ' A' ' 27' ' ' LYS . 1.9 m-20 -53.7 -36.51 62.3 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.822 0.675 . . . . 10.0 112.822 -178.913 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.38 25.62 7.91 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.588 -0.815 . . . . 10.0 113.994 -178.575 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.402 ' O ' HG12 ' A' ' 23' ' ' ILE . 73.2 mmt-85 -124.49 163.91 20.85 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 117.397 0.598 . . . . 10.0 110.671 179.826 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.3 p -104.16 170.4 7.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.526 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 18' ' ' GLU . 91.2 mt -67.26 -30.23 70.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.984 0.421 . . . . 10.0 110.361 179.26 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -23.79 64.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.206 179.523 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -68.68 -23.84 64.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.216 0.531 . . . . 10.0 110.704 -179.7 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -111.03 5.64 20.39 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.39 179.1 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 55.08 43.24 29.95 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 114.764 -1.107 . . . . 10.0 111.308 -179.85 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 68.4 mt -82.94 117.21 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.866 -0.606 . . . . 10.0 109.976 179.69 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -96.02 -175.91 3.53 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.283 179.738 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -71.6 156.54 39.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.8 0.333 . . . . 10.0 111.133 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 63.98 22.98 13.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.575 -0.739 . . . . 10.0 112.201 179.083 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.3 m -93.96 143.85 25.98 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.557 -0.535 . . . . 10.0 109.557 178.647 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.516 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 30.1 m -98.07 126.03 43.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.001 0.429 . . . . 10.0 111.528 -179.345 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -106.87 142.27 36.77 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.801 -0.814 . . . . 10.0 108.801 179.052 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -97.53 128.95 44.69 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.646 0.26 . . . . 10.0 110.357 -179.57 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.5 tp -111.67 108.87 18.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.007 0.432 . . . . 10.0 110.929 179.801 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.6 t -98.14 130.15 47.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.903 -0.589 . . . . 10.0 109.496 178.978 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.7 mt . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.492 -179.737 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.485 1.28 0 CA-C-O 120.807 0.337 . . . . 10.0 110.256 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 -100.46 135.52 41.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.181 0.515 . . . . 10.0 111.595 -179.231 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 24.9 pt -120.86 163.26 18.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.432 -0.804 . . . . 10.0 109.672 178.687 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.502 ' O ' ' HA ' ' B' ' 66' ' ' THR . 72.7 m-85 -116.65 116.46 27.59 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.773 0.32 . . . . 10.0 111.034 -179.506 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 67.2 t -101.82 114.04 39.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.511 -0.551 . . . . 10.0 109.511 179.145 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -97.56 125.45 42.28 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.389 -0.369 . . . . 10.0 110.481 -179.041 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 19.3 p -101.12 163.69 12.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.799 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.458 HD11 HG21 ' D' ' 490' ' ' THR . 86.6 mt -66.26 -19.58 65.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.311 179.567 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.67 2.31 26.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.024 179.666 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.67 24.62 64.57 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 121.091 -0.576 . . . . 10.0 112.416 179.651 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -108.16 121.01 43.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.798 0.333 . . . . 10.0 110.346 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -100.37 107.43 19.19 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.17 -0.468 . . . . 10.0 109.925 179.449 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 7.3 mt -97.79 136.25 29.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.019 -178.665 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.63 144.41 27.32 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.524 -0.547 . . . . 10.0 109.524 178.946 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 60.2 mt -140.34 144.24 36.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.738 0.304 . . . . 10.0 111.586 -179.306 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -94.93 99.5 11.52 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.977 -0.749 . . . . 10.0 108.977 178.567 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 17.0 m -121.09 164.35 17.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.764 -179.122 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.408 ' O ' HD12 ' B' ' 56' ' ' LEU . 23.1 mm-40 -116.89 156.96 47.49 Favored Pre-proline 0 C--N 1.316 -0.867 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.135 -179.668 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.55 -27.01 81.03 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.301 2.001 . . . . 10.0 111.906 179.382 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.29 5.88 50.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.729 -0.669 . . . . 10.0 111.606 -179.612 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -78.54 144.22 35.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.968 0.413 . . . . 10.0 110.426 -179.666 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.417 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.2 OUTLIER -92.98 146.95 23.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.761 -179.128 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 46.7 mm -55.34 -37.49 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.413 -179.442 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -58.28 -43.5 88.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.711 179.43 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -69.58 -35.83 75.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.747 -179.821 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 22' ' ' THR . 81.1 t -61.38 -43.65 97.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.275 179.636 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -64.45 -32.75 74.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.822 179.7 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.18 -33.73 76.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 10.0 110.135 179.152 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -67.48 -34.75 77.79 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.288 179.292 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 59.5 mt -72.14 -33.13 45.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.558 178.891 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -68.3 -32.35 72.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.424 -0.807 . . . . 10.0 110.208 179.262 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -72.1 -36.45 69.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.92 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -80.39 -59.83 2.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.165 -0.471 . . . . 10.0 112.219 -179.146 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -86.59 -47.14 9.46 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.387 0.514 . . . . 10.0 112.387 -178.067 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.09 21.73 7.58 Favored Glycine 0 C--O 1.228 -0.237 0 C-N-CA 120.285 -0.959 . . . . 10.0 112.769 -179.743 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 57.8 mt -94.67 124.9 53.46 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.973 -0.38 . . . . 10.0 109.973 179.692 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.467 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 52.0 Cg_exo -54.28 131.59 45.92 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.547 2.165 . . . . 10.0 112.251 179.904 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 53.0 Cg_exo -55.81 -21.2 31.82 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.34 2.693 . . . . 10.0 113.175 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -71.37 -32.73 68.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.089 0.471 . . . . 10.0 110.243 179.547 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -89.66 -11.21 43.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.666 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -80.32 97.68 7.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.774 179.795 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.542 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 41.3 mtp180 -97.41 90.56 5.11 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 179.155 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 25.6 mt -76.76 130.27 37.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.652 -0.703 . . . . 10.0 111.653 -179.361 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mp -124.12 142.45 40.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.088 179.625 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -134.66 111.24 9.84 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.355 -0.609 . . . . 10.0 109.355 178.653 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.13 17.82 11.2 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.718 -0.674 . . . . 10.0 111.8 179.767 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.59 -3.99 42.96 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.675 -0.774 . . . . 10.0 112.795 179.603 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -110.6 140.49 44.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.584 0.192 . . . . 10.0 110.534 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.02 139.49 40.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.945 0.402 . . . . 10.0 110.517 179.513 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 62.1 mt -84.4 127.34 33.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.391 179.757 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.545 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 34.2 mt-10 -80.41 149.55 30.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.838 0.351 . . . . 10.0 110.299 179.439 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.67 -28.74 65.01 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.919 -0.582 . . . . 10.0 112.113 -178.198 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -94.02 31.21 6.78 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.935 -0.65 . . . . 10.0 113.417 -178.968 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.545 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 16.7 mmt180 -130.55 160.55 33.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 117.066 0.433 . . . . 10.0 109.984 179.565 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.484 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 56.7 p -105.04 171.11 7.49 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.096 -0.335 . . . . 10.0 110.096 179.348 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.408 HD12 ' O ' ' B' ' 18' ' ' GLU . 40.3 mt -64.28 -35.57 81.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.857 0.36 . . . . 10.0 111.167 -179.653 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 16.8 m -65.26 -22.83 66.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.098 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.484 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.8 m-20 -65.63 -30.28 70.98 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.196 -0.457 . . . . 10.0 111.295 -179.424 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -106.19 17.5 23.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.908 -178.549 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 64.01 22.57 12.99 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 120.712 0.291 . . . . 10.0 111.646 179.298 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 76.1 mt -77.28 128.14 38.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.885 0.374 . . . . 10.0 110.667 -179.559 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -128.2 -161.9 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.07 -0.513 . . . . 10.0 110.17 -179.429 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -69.49 148.57 49.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.642 0.258 . . . . 10.0 111.08 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 66.2 9.06 6.02 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.529 -0.759 . . . . 10.0 112.553 178.743 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 55.0 m -77.11 134.92 38.58 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.159 -0.311 . . . . 10.0 110.159 179.511 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.502 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 17.3 m -93.47 131.47 38.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.131 -179.816 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.8 mp -110.49 144.86 38.67 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.717 -0.674 . . . . 10.0 109.906 179.839 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.575 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 26.4 m80 -96.23 135.85 37.49 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.111 -0.495 . . . . 10.0 109.699 179.718 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 51.9 tp -126.14 112.45 15.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.289 0.566 . . . . 10.0 111.454 -179.614 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.542 ' HB ' ' HB2' ' B' ' 42' ' ' ARG . 23.0 t -83.64 122.09 37.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.575 -0.739 . . . . 10.0 109.858 179.119 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 10.5 mt -86.64 109.42 19.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.181 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.623 0 CA-C-O 120.911 0.386 . . . . 10.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.529 0.159 0 N-CA-C 112.154 0.427 . . . . 10.0 112.154 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 42.7 mm-40 -89.18 -32.28 17.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.914 0.388 . . . . 10.0 110.747 -179.879 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 457' ' ' LEU . . . . . 0.405 HD13 ' HG2' ' D' ' 481' ' ' GLN . 64.6 mt -60.67 -48.6 81.05 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.822 -0.626 . . . . 10.0 111.17 -179.727 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -65.4 -36.83 85.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.612 -0.267 . . . . 10.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -66.62 -46.33 76.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.011 -179.87 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 74.0 mtm -64.41 -42.07 96.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.521 179.788 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -69.14 -30.95 69.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.237 -179.77 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -57.12 -44.98 83.8 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.553 -0.294 . . . . 10.0 111.322 -179.838 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 463' ' ' GLN . . . . . 0.439 ' NE2' ' HA ' ' D' ' 463' ' ' GLN . 4.6 tp60 -64.5 -34.54 78.45 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.739 -0.384 . . . . 10.0 110.872 -179.299 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 71.8 mt -69.41 -38.8 77.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.57 -0.53 . . . . 10.0 109.57 178.896 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -62.06 -35.7 79.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.283 -0.871 . . . . 10.0 111.007 179.697 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -72.12 -22.03 61.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.764 179.651 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 467' ' ' MET . . . . . 0.575 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 6.0 mtm -91.2 -26.66 18.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.16 -179.261 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 468' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -121.56 82.44 40.48 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 110.107 -0.331 . . . . 10.0 110.107 179.376 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -76.07 35.77 0.46 Allowed 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.939 2.426 . . . . 10.0 112.968 -179.075 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -150.5 13.21 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 10.0 111.177 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 471' ' ' VAL . . . . . . . . . . . . . 8.3 p -118.29 132.8 23.61 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.584 -0.28 . . . . 10.0 110.577 -179.754 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 472' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -58.87 126.71 21.92 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.44 2.093 . . . . 10.0 112.095 178.455 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -56.77 -37.23 70.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.687 -0.688 . . . . 10.0 112.166 -178.772 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 19.3 p-80 -65.96 -26.44 67.57 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.987 -0.285 . . . . 10.0 111.432 -179.411 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 475' ' ' LEU . . . . . 0.429 ' O ' ' HB3' ' D' ' 478' ' ' GLN . 25.7 mt -77.18 -32.01 55.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.365 . . . . 10.0 110.187 179.436 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 23.2 t -69.17 -41.1 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.556 179.288 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.98 -26.43 68.57 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.476 -0.784 . . . . 10.0 110.571 179.21 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 478' ' ' GLN . . . . . 0.429 ' HB3' ' O ' ' D' ' 475' ' ' LEU . 2.8 tt0 -64.17 -53.11 54.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.585 179.668 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 479' ' ' ASP . . . . . 0.402 ' HB3' HG23 ' D' ' 489' ' ' THR . 11.5 t70 -69.92 -34.75 73.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.255 -0.429 . . . . 10.0 110.793 -179.166 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.67 -32.32 67.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.48 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 481' ' ' GLN . . . . . 0.405 ' HG2' HD13 ' D' ' 457' ' ' LEU . 45.7 mt-30 -88.04 -7.42 57.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.748 0.309 . . . . 10.0 111.239 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -100.07 -48.36 4.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.574 -0.285 . . . . 10.0 111.028 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 40.5 p -95.36 -35.43 11.77 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.449 -0.342 . . . . 10.0 111.307 -179.325 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.24 27.88 15.65 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.65 -0.705 . . . . 10.0 111.382 179.904 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 4.4 t -142.9 118.66 10.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.732 -0.667 . . . . 10.0 109.85 -179.847 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 33.1 m -59.83 -31.27 47.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.986 -179.41 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -63.89 -47.67 79.72 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.787 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 53.9 mt -73.25 -39.2 55.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.901 -179.809 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 489' ' ' THR . . . . . 0.416 ' O ' HG13 ' D' ' 493' ' ' ILE . 95.5 m -60.94 -47.57 85.8 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.048 0.388 . . . . 10.0 112.048 -179.216 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 490' ' ' THR . . . . . 0.458 HG21 HD11 ' B' ' 8' ' ' LEU . 4.5 p -64.12 -42.42 96.85 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.791 -0.364 . . . . 10.0 110.856 -179.601 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -65.51 -34.61 78.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.136 -0.484 . . . . 10.0 109.932 179.154 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 492' ' ' ASN . . . . . 0.422 ' HB3' ' HB3' ' D' ' 497' ' ' ARG . 35.4 m-20 -62.1 -37.8 86.44 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 115.385 -0.825 . . . . 10.0 110.748 179.075 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 493' ' ' ILE . . . . . 0.455 HG12 HD12 ' D' ' 498' ' ' ILE . 71.2 mt -69.19 -39.73 79.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.34 0.59 . . . . 10.0 109.654 178.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.14 36.07 0.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.346 -0.843 . . . . 10.0 110.969 179.617 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -149.78 -65.53 0.21 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.537 179.605 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 145.17 39.47 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.744 -0.741 . . . . 10.0 113.074 179.528 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 497' ' ' ARG . . . . . 0.422 ' HB3' ' HB3' ' D' ' 492' ' ' ASN . 13.3 tpp180 -89.02 -35.55 16.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.233 0.54 . . . . 10.0 110.137 179.302 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 498' ' ' ILE . . . . . 0.455 HD12 HG12 ' D' ' 493' ' ' ILE . 52.9 mt -96.61 137.16 25.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.614 -0.721 . . . . 10.0 109.549 179.662 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 . . . . . 0 C--N 1.324 -0.537 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.274 -179.738 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 110.168 -0.308 . . . . 10.0 110.168 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -120.25 141.73 49.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.553 0.216 . . . . 10.0 110.933 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.1 pt -126.64 155.02 37.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.496 -0.557 . . . . 10.0 109.496 178.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.452 ' O ' ' HA ' ' A' ' 66' ' ' THR . 93.2 m-85 -115.2 122.41 45.95 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.731 0.3 . . . . 10.0 111.075 -179.137 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.8 t -110.05 125.1 67.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 178.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.9 tttp -111.26 130.52 55.63 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.883 0.373 . . . . 10.0 111.292 -178.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.36 173.12 8.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.627 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 mt -64.26 -24.0 67.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.221 0.534 . . . . 10.0 111.221 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.32 -3.61 46.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.96 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.93 -17.06 60.03 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.763 -0.732 . . . . 10.0 111.536 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.0 tttp -57.7 135.11 56.71 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 122.961 0.504 . . . . 10.0 110.568 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -127.41 125.92 41.5 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.711 0.291 . . . . 10.0 110.627 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.6 pt -116.21 148.18 19.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.997 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -104.28 125.56 50.64 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.422 -0.585 . . . . 10.0 109.422 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -115.76 135.06 54.39 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.953 0.406 . . . . 10.0 111.712 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -85.3 113.52 21.69 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.413 -0.812 . . . . 10.0 109.369 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.9 m -142.66 176.18 3.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.099 0.476 . . . . 10.0 111.425 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.514 ' O ' HD12 ' A' ' 56' ' ' LEU . 40.3 mm-40 -134.64 157.78 76.51 Favored Pre-proline 0 C--N 1.321 -0.669 0 N-CA-C 108.604 -0.887 . . . . 10.0 108.604 179.093 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -50.72 -36.33 50.87 Favored 'Trans proline' 0 CA--C 1.533 0.445 0 C-N-CA 122.324 2.016 . . . . 10.0 112.545 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.88 -6.52 47.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.75 -0.659 . . . . 10.0 112.482 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.53 139.83 45.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.788 0.328 . . . . 10.0 110.128 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.433 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -91.29 148.05 22.61 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.963 -179.388 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 51.5 mm -57.42 -38.86 65.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.989 0.423 . . . . 10.0 110.298 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 35.4 tt0 -62.87 -34.91 78.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.22 178.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.481 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 54.7 t30 -75.27 -38.94 60.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.205 -0.452 . . . . 10.0 109.793 179.234 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 22' ' ' THR . 96.6 t -63.18 -45.28 98.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.682 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 14.8 ptmt -66.53 -28.07 68.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.98 0.419 . . . . 10.0 110.443 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.08 -33.09 73.89 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.589 -0.523 . . . . 10.0 109.589 178.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 67.8 mttt -66.64 -41.55 88.12 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.291 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 31.2 mt -66.84 -32.16 56.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.375 0.607 . . . . 10.0 109.63 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -64.56 -34.71 78.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.321 -0.854 . . . . 10.0 110.74 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -88.74 -32.0 18.14 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.488 -0.323 . . . . 10.0 111.681 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -80.01 -47.93 14.14 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.394 0.516 . . . . 10.0 112.394 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -98.76 -21.41 16.39 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.909 0.337 . . . . 10.0 111.909 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.1 14.52 64.29 Favored Glycine 0 CA--C 1.517 0.172 0 C-N-CA 120.677 -0.773 . . . . 10.0 113.113 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.1 mt -87.79 120.9 71.05 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 122.847 -0.208 . . . . 10.0 110.772 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 32.2 Cg_exo -58.06 138.31 85.29 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.721 2.281 . . . . 10.0 112.535 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 29.8 Cg_exo -60.33 -23.16 73.67 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.898 2.398 . . . . 10.0 112.487 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -69.1 -19.53 64.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.951 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.474 ' O ' ' HA ' ' A' ' 71' ' ' LEU . 85.6 mt-30 -114.16 10.69 17.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.064 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -98.1 106.54 18.84 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.013 0.435 . . . . 10.0 111.532 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -109.53 103.74 12.67 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.8 mt -91.82 118.24 30.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.982 0.42 . . . . 10.0 111.407 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mp -115.04 133.49 61.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.339 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.501 ' HB3' HD21 ' A' ' 50' ' ' LEU . 63.8 t80 -134.88 121.46 20.62 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.581 -0.526 . . . . 10.0 109.581 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.97 33.43 19.78 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.616 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.25 -21.84 15.15 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.901 -0.666 . . . . 10.0 112.92 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -94.2 147.44 23.17 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.258 -0.275 . . . . 10.0 110.258 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -92.66 137.06 32.69 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.709 -0.478 . . . . 10.0 109.709 179.268 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.501 HD21 ' HB3' ' A' ' 45' ' ' PHE . 18.7 mt -88.89 144.66 26.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.479 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.419 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 40.2 mt-10 -91.22 151.76 20.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.004 -0.369 . . . . 10.0 110.004 179.166 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.9 -50.71 72.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.047 -0.524 . . . . 10.0 112.234 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.16 49.67 4.03 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 121.074 -0.584 . . . . 10.0 113.925 -178.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.422 ' HG3' ' OH ' ' A' ' 59' ' ' TYR . 21.9 mmt180 -138.82 156.9 46.95 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.724 -0.473 . . . . 10.0 109.724 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.526 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 45.4 p -98.06 171.73 8.07 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.919 -0.401 . . . . 10.0 109.919 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.514 HD12 ' O ' ' A' ' 18' ' ' GLU . 81.7 mt -70.05 -31.49 69.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.881 0.372 . . . . 10.0 110.35 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -21.67 60.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.367 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.526 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.7 OUTLIER -60.52 -30.91 70.04 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.947 179.693 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.466 ' CD2' HD22 ' A' ' 50' ' ' LEU . 74.8 m-85 -111.9 8.51 20.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.356 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 57.8 t30 57.81 43.14 22.25 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.406 -0.816 . . . . 10.0 111.645 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 76.4 mt -77.81 119.05 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.481 -0.563 . . . . 10.0 109.481 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -91.95 174.83 7.13 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.663 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -68.29 151.79 46.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.294 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 64.29 30.68 13.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.687 -0.688 . . . . 10.0 111.827 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.2 m -92.22 143.94 25.91 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.77 -0.456 . . . . 10.0 109.77 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 1.7 m -99.31 124.05 44.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.067 0.461 . . . . 10.0 111.482 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -110.9 142.55 42.82 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.222 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -98.66 124.82 43.71 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.765 0.317 . . . . 10.0 110.492 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.0 tp -106.13 108.78 20.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.141 0.496 . . . . 10.0 111.263 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.5 t -103.86 139.1 25.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.8 -0.637 . . . . 10.0 109.289 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.474 ' HA ' ' O ' ' A' ' 40' ' ' GLN . 55.1 mt -92.15 161.54 14.7 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.159 0.504 . . . . 10.0 111.212 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -125.68 89.01 2.96 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.028 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.24 108.35 20.49 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.785 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -123.69 123.78 41.29 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.71 26.65 29.06 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.662 -0.78 . . . . 10.0 111.233 -178.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.814 0 CA-C-O 118.869 -0.962 . . . . 10.0 111.007 -179.847 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ptt? . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 109.921 -0.4 . . . . 10.0 109.921 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -110.59 138.47 46.93 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.42 -0.512 . . . . 10.0 110.703 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 30.2 pt -121.23 168.35 13.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.903 -0.589 . . . . 10.0 109.944 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -124.89 118.63 26.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.199 0.523 . . . . 10.0 111.542 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 43.7 t -98.01 122.56 49.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.663 -0.699 . . . . 10.0 109.472 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -101.34 125.65 48.0 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.157 0.503 . . . . 10.0 111.006 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.44 157.58 16.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.508 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 47.9 mt -61.66 -18.17 58.43 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.003 0.371 . . . . 10.0 112.003 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.53 -4.42 59.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.814 0.34 . . . . 10.0 111.5 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.56 10.02 59.56 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.972 -0.632 . . . . 10.0 112.027 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 24.3 tttp -83.42 139.5 32.93 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.359 -0.237 . . . . 10.0 110.359 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -116.37 114.32 24.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.475 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 7.9 mt -103.18 130.67 53.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.526 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.4 m -98.42 127.2 44.25 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.823 -0.436 . . . . 10.0 109.823 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 33.2 mt -126.23 134.07 51.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.811 0.339 . . . . 10.0 111.302 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -95.02 109.42 21.45 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.785 -0.82 . . . . 10.0 108.785 178.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.449 HG12 ' NZ ' ' B' ' 29' ' ' LYS . 30.4 m -136.22 -179.93 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.035 -0.53 . . . . 10.0 111.301 -178.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -127.46 155.21 77.08 Favored Pre-proline 0 C--N 1.317 -0.809 0 N-CA-C 109.01 -0.737 . . . . 10.0 109.01 178.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -56.6 -23.87 50.94 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.49 2.127 . . . . 10.0 112.566 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -85.47 6.04 28.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.036 -0.529 . . . . 10.0 112.009 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -83.19 153.22 24.86 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 120.863 0.363 . . . . 10.0 110.402 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.432 ' O ' HG23 ' B' ' 26' ' ' VAL . 4.2 p -94.86 151.71 18.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.348 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 40.8 mm -59.43 -36.64 65.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.226 0.536 . . . . 10.0 110.168 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -42.7 99.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.617 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -68.52 -38.25 80.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.841 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.433 ' O ' HG13 ' B' ' 30' ' ' ILE . 98.3 t -59.44 -44.94 93.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.888 0.375 . . . . 10.0 110.25 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -67.82 -31.16 70.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.792 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.77 -34.12 76.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.146 0.498 . . . . 10.0 109.791 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.449 ' NZ ' HG12 ' B' ' 17' ' ' VAL . 98.1 mttt -69.85 -32.27 70.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.004 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.433 HG13 ' O ' ' B' ' 26' ' ' VAL . 56.9 mt -69.51 -31.07 47.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -71.84 -24.42 61.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.916 -0.584 . . . . 10.0 109.613 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -77.65 -31.23 52.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.545 -0.752 . . . . 10.0 110.846 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 69.2 mttt -95.58 -45.13 7.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.449 -0.341 . . . . 10.0 111.804 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -96.16 -51.4 4.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.793 0.33 . . . . 10.0 111.534 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.61 -6.49 26.2 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.584 -0.817 . . . . 10.0 112.395 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 26.5 mt -63.95 128.19 92.66 Favored Pre-proline 0 C--N 1.327 -0.394 0 N-CA-C 110.689 -0.115 . . . . 10.0 110.689 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -61.59 131.38 35.49 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.5 2.133 . . . . 10.0 111.797 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.16 -22.31 55.84 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.011 2.474 . . . . 10.0 112.975 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -66.79 -33.42 75.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.3 0.571 . . . . 10.0 110.814 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -98.07 6.77 47.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.549 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -103.22 109.64 21.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.428 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -104.45 107.65 18.69 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.179 -0.674 . . . . 10.0 109.179 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.476 ' HB3' HD12 ' B' ' 50' ' ' LEU . 18.1 mt -84.79 119.85 25.77 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.078 0.466 . . . . 10.0 110.911 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -115.37 142.68 27.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.512 -0.767 . . . . 10.0 109.432 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -132.43 110.79 10.77 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.044 -0.525 . . . . 10.0 109.718 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.0 27.57 16.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.732 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.17 -12.74 62.02 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.832 -0.699 . . . . 10.0 113.38 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.5 143.32 28.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 117.011 0.406 . . . . 10.0 109.982 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.455 HE21 ' HB3' ' B' ' 49' ' ' GLN . 1.1 tt0 -86.26 135.54 33.51 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.32 -0.252 . . . . 10.0 110.32 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.476 HD12 ' HB3' ' B' ' 43' ' ' LEU . 27.3 mt -91.27 120.11 31.89 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.99 -0.374 . . . . 10.0 109.99 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.477 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 28.0 mt-10 -68.64 136.96 53.78 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 179.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -54.36 -42.44 70.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.987 -0.552 . . . . 10.0 112.041 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.05 53.89 4.24 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.817 -0.706 . . . . 10.0 113.21 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.477 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 31.2 mmt180 -141.4 174.04 10.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.778 0.289 . . . . 10.0 110.293 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 41.1 p -115.15 172.69 6.92 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.551 -0.537 . . . . 10.0 109.551 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 84.1 mt -69.8 -30.6 68.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.985 0.422 . . . . 10.0 110.477 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.51 -20.77 64.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.909 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -70.37 -32.74 70.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.765 0.317 . . . . 10.0 111.713 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -109.59 12.24 24.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.471 -0.331 . . . . 10.0 110.771 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 60.68 31.82 20.2 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.627 -0.715 . . . . 10.0 111.592 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 66.0 mt -72.15 112.98 8.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.06 0.457 . . . . 10.0 109.93 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -97.82 -167.48 1.53 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.62 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.5 155.78 33.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.814 0.34 . . . . 10.0 110.957 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 59.26 17.99 6.23 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.595 -0.729 . . . . 10.0 112.833 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 10.6 m -78.89 148.17 32.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.597 0.237 . . . . 10.0 110.467 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 18.0 m -88.68 119.13 28.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.131 0.491 . . . . 10.0 111.358 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -102.08 124.47 47.74 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.279 -0.638 . . . . 10.0 109.279 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.448 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 29.5 m80 -89.04 124.5 34.34 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.574 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 36.9 tp -100.12 107.37 19.24 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.873 0.368 . . . . 10.0 110.433 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.543 HG13 ' HB ' ' D' ' 490' ' ' THR . 70.6 t -101.13 140.45 19.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.517 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 12.2 mt -100.28 165.62 11.38 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.863 -0.421 . . . . 10.0 109.863 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.554 ' HG3' ' OD1' ' D' ' 491' ' ' ASP . 14.6 ttt180 -152.82 130.28 11.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.714 -0.221 . . . . 10.0 110.691 -179.194 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -139.96 94.86 2.81 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.866 0.365 . . . . 10.0 110.584 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -93.91 105.46 17.47 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.736 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.45 27.33 5.02 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.826 -0.702 . . . . 10.0 112.16 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.986 -0.897 . . . . 10.0 111.137 -179.898 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 120.357 0.122 . . . . 10.0 110.857 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 62.44 15.52 7.85 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.096 0.558 . . . . 10.0 111.963 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -51.39 44.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.059 0.457 . . . . 10.0 111.124 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -69.0 -34.18 74.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.805 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 97.7 mt -63.87 -46.58 84.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.543 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -63.53 -42.78 98.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.822 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.23 -40.39 93.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.547 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 74.3 mtm -72.99 -41.17 64.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.817 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.61 -45.09 91.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.945 -0.57 . . . . 10.0 111.221 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -58.73 -36.14 73.83 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.605 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 463' ' ' GLN . . . . . 0.511 ' O ' ' HG2' ' D' ' 467' ' ' MET . 24.5 tp60 -61.59 -42.08 98.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.196 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 74.6 mt -72.44 -32.53 42.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.149 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 38.5 tp60 -61.24 -30.6 70.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.202 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -76.32 -29.68 57.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.938 -0.573 . . . . 10.0 110.287 178.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 467' ' ' MET . . . . . 0.511 ' HG2' ' O ' ' D' ' 463' ' ' GLN . 31.1 mmm -76.36 -44.11 37.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.227 0.537 . . . . 10.0 110.202 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 468' ' ' PHE . . . . . 0.452 ' O ' HG12 ' D' ' 471' ' ' VAL . 5.1 m-85 -116.91 92.55 39.12 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.61 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -78.26 33.48 0.47 Allowed 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.776 2.317 . . . . 10.0 112.369 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -152.71 29.95 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.951 -179.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 471' ' ' VAL . . . . . 0.452 HG12 ' O ' ' D' ' 468' ' ' PHE . 12.8 p -125.43 133.71 25.12 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.384 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 472' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' D' ' 471' ' ' VAL . 53.1 Cg_exo -58.3 119.36 6.57 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.635 2.223 . . . . 10.0 112.237 179.153 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -53.05 -40.41 63.96 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.449 -0.796 . . . . 10.0 112.681 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 44.9 p-80 -68.62 -27.56 66.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.587 0.232 . . . . 10.0 111.601 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 475' ' ' LEU . . . . . 0.441 ' O ' ' HB3' ' D' ' 478' ' ' GLN . 24.1 mt -77.67 -30.52 52.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.896 0.379 . . . . 10.0 110.0 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 476' ' ' VAL . . . . . 0.412 HG23 ' O ' ' D' ' 472' ' ' PRO . 44.9 t -66.99 -46.75 84.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.461 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 477' ' ' LEU . . . . . 0.415 ' O ' ' HG3' ' D' ' 481' ' ' GLN . 23.8 mt -63.67 -24.62 67.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.792 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 478' ' ' GLN . . . . . 0.441 ' HB3' ' O ' ' D' ' 475' ' ' LEU . 18.6 tt0 -66.44 -55.74 14.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.985 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -67.17 -29.47 69.17 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.537 -0.302 . . . . 10.0 110.605 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 480' ' ' LEU . . . . . 0.477 ' HA ' HD13 ' D' ' 480' ' ' LEU . 0.2 OUTLIER -61.05 -24.69 66.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.299 179.702 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 481' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' D' ' 477' ' ' LEU . 72.8 mt-30 -89.64 -17.38 28.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.036 0.446 . . . . 10.0 110.533 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 482' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' D' ' 482' ' ' LEU . 3.5 mm? -92.31 -59.14 2.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.846 -0.616 . . . . 10.0 111.1 -179.353 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 40.8 p -82.18 -42.93 18.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.732 0.301 . . . . 10.0 110.781 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 15.4 mtt180 63.25 28.32 15.75 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.615 -0.72 . . . . 10.0 110.509 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.44 116.16 6.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.434 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 28.1 m -59.26 -23.51 25.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.641 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -69.1 -23.73 64.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.045 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 9.2 mt -108.48 -33.04 2.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.039 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 489' ' ' THR . . . . . 0.476 HG21 HD22 ' D' ' 480' ' ' LEU . 41.8 m -59.64 -57.81 11.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.494 -0.321 . . . . 10.0 111.509 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 490' ' ' THR . . . . . 0.543 ' HB ' HG13 ' B' ' 70' ' ' VAL . 0.2 OUTLIER -61.21 -29.38 69.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.11 0.481 . . . . 10.0 110.729 -179.828 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 491' ' ' ASP . . . . . 0.554 ' OD1' ' HG3' ' B' ' 72' ' ' ARG . 21.2 t0 -68.77 -49.09 61.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.526 -0.761 . . . . 10.0 109.572 178.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -54.21 -36.67 63.73 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.575 -0.739 . . . . 10.0 111.135 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 67.7 mt -65.92 -46.36 88.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.444 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.22 -36.09 83.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.36 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 495' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' D' ' 491' ' ' ASP . 18.9 mm-40 -67.14 -43.04 83.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.937 0.399 . . . . 10.0 110.817 179.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 124.77 25.14 1.6 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.841 -0.695 . . . . 10.0 112.8 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -82.69 -22.94 34.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.147 0.499 . . . . 10.0 110.09 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 1.5 mp -101.87 142.22 16.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.523 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -78.59 131.17 36.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.948 0.404 . . . . 10.0 111.153 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 19.8 m -84.82 163.95 44.18 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.556 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -67.77 78.89 0.52 Allowed 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.812 2.342 . . . . 10.0 112.723 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -102.95 131.68 21.93 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.128 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -66.22 149.78 85.21 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.488 2.125 . . . . 10.0 112.269 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 4.8 t . . . . . 0 C--O 1.254 1.331 0 CA-C-O 118.145 -0.931 . . . . 10.0 109.912 -179.819 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.479 0.983 0 N-CA-C 110.01 -0.367 . . . . 10.0 110.01 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -115.45 137.72 51.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.876 0.369 . . . . 10.0 111.343 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.9 pt -124.8 161.07 29.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.958 -0.564 . . . . 10.0 109.826 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -113.88 117.24 30.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.807 0.337 . . . . 10.0 110.658 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 42.1 t -102.41 119.47 50.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.349 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -100.47 131.02 46.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.946 0.403 . . . . 10.0 110.584 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.4 p -99.86 167.47 10.5 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.412 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.83 -16.6 63.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.882 0.373 . . . . 10.0 111.349 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.27 -16.88 38.65 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.134 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.05 -0.82 41.09 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.088 -0.577 . . . . 10.0 112.71 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -79.54 135.29 36.58 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.361 0.264 . . . . 10.0 110.455 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -107.67 123.26 48.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.43 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.1 mt -108.82 137.62 39.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.333 -178.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.43 130.85 47.74 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.704 178.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.0 mt -128.52 138.94 52.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.282 0.563 . . . . 10.0 112.082 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -89.37 100.73 13.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.065 -0.971 . . . . 10.0 108.988 178.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.0 m -132.02 176.5 8.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.02 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.571 ' O ' HD12 ' A' ' 56' ' ' LEU . 7.8 mm-40 -134.52 156.97 78.34 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 108.676 -0.861 . . . . 10.0 108.676 179.144 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.48 -35.86 77.71 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.621 2.214 . . . . 10.0 113.19 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.23 5.47 34.14 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.421 0.526 . . . . 10.0 112.421 -179.077 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -74.8 141.58 44.32 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 110.016 -0.364 . . . . 10.0 110.016 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.418 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -78.47 142.6 37.37 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.122 -179.362 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.1 mm -56.51 -42.3 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.771 0.319 . . . . 10.0 110.854 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -60.07 -40.59 90.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.438 . . . . 10.0 110.604 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.55 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 65.0 t30 -64.11 -39.28 93.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.907 -0.588 . . . . 10.0 109.848 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 22' ' ' THR . 76.0 t -62.4 -41.97 93.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.018 -0.537 . . . . 10.0 109.661 178.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -61.42 -38.25 86.45 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.034 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.38 -32.62 74.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.627 -0.715 . . . . 10.0 110.694 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.55 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 51.2 mttt -71.18 -34.7 71.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 10.0 109.956 179.127 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 93.2 mt -66.14 -43.85 91.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.749 179.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -66.18 -30.0 70.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.312 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -67.7 -39.14 84.42 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -86.75 -45.63 10.75 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.0 0.37 . . . . 10.0 112.0 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -87.48 -62.89 1.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.763 0.316 . . . . 10.0 111.638 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.15 -19.76 5.7 Favored Glycine 0 C--O 1.23 -0.117 0 C-N-CA 120.897 -0.668 . . . . 10.0 112.116 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.3 mt -64.78 124.69 87.1 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.751 -0.224 . . . . 10.0 110.591 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.454 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 37.3 Cg_exo -56.79 146.11 79.65 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.795 2.33 . . . . 10.0 112.255 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 31.5 Cg_exo -59.04 -20.74 55.26 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.685 2.257 . . . . 10.0 112.298 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.52 -35.23 79.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.027 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -98.73 7.42 46.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.819 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -96.27 102.52 14.32 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.219 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -103.86 100.7 10.49 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.82 -0.437 . . . . 10.0 109.82 178.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.5 mt -88.49 117.28 27.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.887 -0.597 . . . . 10.0 111.001 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mp -116.09 130.5 70.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.509 -0.769 . . . . 10.0 109.6 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -118.79 107.68 13.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.527 -0.306 . . . . 10.0 110.244 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.15 27.18 16.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.653 -0.703 . . . . 10.0 111.537 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.76 -26.85 21.98 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.927 -0.654 . . . . 10.0 112.612 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -86.47 128.79 35.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.543 0.211 . . . . 10.0 110.534 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -77.99 136.87 38.04 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.748 -0.464 . . . . 10.0 109.748 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.4 mt -88.37 130.48 35.14 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.979 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.514 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 83.9 mt-10 -88.87 136.58 32.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.719 179.02 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -60.96 -25.25 66.7 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.118 -0.492 . . . . 10.0 112.271 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.51 14.83 49.37 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.86 -0.686 . . . . 10.0 113.365 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.514 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 14.5 mmt180 -123.36 177.33 5.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.191 0.495 . . . . 10.0 110.334 179.458 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.467 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 13.4 p -116.08 173.62 6.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.342 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 18' ' ' GLU . 95.9 mt -65.59 -36.44 83.76 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.859 0.361 . . . . 10.0 111.033 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.7 p -65.66 -25.65 67.44 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.932 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.467 ' HB2' ' O ' ' A' ' 55' ' ' THR . 3.4 m-20 -61.74 -30.3 70.68 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.268 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -110.65 14.24 22.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.367 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 60.95 28.96 18.71 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.686 -0.688 . . . . 10.0 111.73 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 77.5 mt -76.8 114.35 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.022 0.439 . . . . 10.0 110.237 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -108.79 -160.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.557 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -77.11 154.75 32.95 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.608 0.242 . . . . 10.0 110.363 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 67.0 15.59 10.18 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.826 -0.624 . . . . 10.0 112.01 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.8 m -81.73 150.63 27.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.576 0.227 . . . . 10.0 110.433 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 35.7 m -105.15 120.18 40.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.155 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.7 mp -106.83 129.17 54.72 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.388 -0.597 . . . . 10.0 109.388 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -94.13 123.8 37.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.689 0.28 . . . . 10.0 110.457 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.5 tp -105.9 109.54 21.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.236 0.541 . . . . 10.0 111.17 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 68.8 t -100.26 138.73 23.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.621 -0.718 . . . . 10.0 109.731 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 67.9 mt -96.2 167.93 10.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.979 0.419 . . . . 10.0 110.891 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -139.99 103.52 4.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.022 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.8 mt -107.87 132.6 53.27 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.978 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -129.66 116.36 18.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.778 -0.647 . . . . 10.0 109.846 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.57 34.86 3.72 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.778 -0.725 . . . . 10.0 111.509 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.153 -1.359 . . . . 10.0 110.94 -179.881 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.487 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 25.6 ptt? . . . . . 0 N--CA 1.479 0.979 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -97.76 129.91 44.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.899 0.381 . . . . 10.0 111.414 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 20.4 pt -127.74 161.92 34.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.966 -0.561 . . . . 10.0 109.702 178.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -118.83 128.87 54.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.957 0.408 . . . . 10.0 111.035 -179.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 39.9 t -110.84 125.92 68.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.178 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 27.2 mttt -98.29 135.03 40.49 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.587 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.505 HG22 HD23 ' B' ' 69' ' ' LEU . 39.1 p -105.07 170.57 7.79 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.429 -0.35 . . . . 10.0 110.262 179.343 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 92.5 mt -74.21 -10.93 60.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.255 -0.43 . . . . 10.0 111.742 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -93.8 -12.0 30.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.887 0.375 . . . . 10.0 111.001 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.98 -9.2 46.67 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.969 -0.634 . . . . 10.0 112.532 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -73.87 141.35 46.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.721 0.296 . . . . 10.0 110.519 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.6 m -111.86 123.28 49.9 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.1 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 24.3 mt -100.07 135.01 37.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.557 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p -99.45 125.46 45.18 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.945 -0.391 . . . . 10.0 109.945 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 74.7 mt -126.31 134.34 51.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.104 0.478 . . . . 10.0 111.08 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -107.38 89.04 2.88 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.628 -0.715 . . . . 10.0 109.218 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.487 ' O ' ' HG2' ' B' ' 1' ' ' MET . 10.7 m -123.19 164.77 20.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.65 -178.656 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -106.14 155.89 37.74 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.178 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.44 -28.87 46.29 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 122.798 2.332 . . . . 10.0 113.298 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.74 -4.7 47.63 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.463 0.542 . . . . 10.0 112.463 -179.001 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -72.04 150.35 44.06 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.245 0.545 . . . . 10.0 111.064 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.436 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.2 OUTLIER -96.2 147.85 23.33 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.727 -0.669 . . . . 10.0 110.625 -179.477 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.459 HG12 ' O ' ' B' ' 54' ' ' ARG . 51.9 mm -55.56 -45.25 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 116.603 -0.271 . . . . 10.0 111.501 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -59.31 -42.87 92.36 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.896 0.379 . . . . 10.0 110.656 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.449 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 61.8 t30 -63.86 -37.52 87.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.282 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.436 HG23 ' O ' ' B' ' 22' ' ' THR . 83.1 t -64.3 -44.72 97.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.199 179.367 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt -62.66 -37.16 85.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.578 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.43 -37.2 80.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.596 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 36.0 mttt -69.38 -38.03 77.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.11 179.447 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 78.0 mt -66.16 -34.76 72.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 109.3 -0.629 . . . . 10.0 109.3 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.4 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 37.2 tt0 -66.73 -31.05 71.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.285 -0.87 . . . . 10.0 109.826 178.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -76.31 -30.33 57.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.844 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -84.28 -67.03 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.879 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -77.32 -37.11 53.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.425 . . . . 10.0 112.1 -178.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 95.26 36.08 5.54 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.43 -0.891 . . . . 10.0 111.738 -178.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 53.1 mt -111.21 120.23 43.58 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 110.059 -0.349 . . . . 10.0 110.059 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 51.3 Cg_exo -53.54 140.54 64.67 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.828 2.352 . . . . 10.0 112.358 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 51.5 Cg_exo -55.61 -21.57 31.88 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 123.13 2.553 . . . . 10.0 113.163 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.35 -36.9 79.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.656 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -90.76 1.06 57.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.989 -178.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -95.21 110.67 22.61 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.363 -0.381 . . . . 10.0 110.786 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.438 HH12 ' HG2' ' D' ' 495' ' ' GLU . 0.0 OUTLIER -116.45 91.07 3.48 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 178.826 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 21.1 mt -78.63 127.85 32.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.952 -0.567 . . . . 10.0 111.52 -178.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mp -122.7 139.28 50.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.475 -0.784 . . . . 10.0 110.013 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.464 ' HB3' HD21 ' B' ' 50' ' ' LEU . 51.8 t80 -134.54 122.3 22.2 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 178.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.21 20.88 12.54 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.482 0.489 . . . . 10.0 111.544 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.3 2.25 64.02 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.846 -0.692 . . . . 10.0 113.07 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -118.85 145.8 45.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.146 0.473 . . . . 10.0 110.503 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.88 143.4 39.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.997 0.427 . . . . 10.0 111.28 -179.362 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.464 HD21 ' HB3' ' B' ' 45' ' ' PHE . 46.6 mt -93.36 119.21 32.21 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.396 -0.82 . . . . 10.0 109.202 178.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.528 ' HB2' ' HG2' ' B' ' 54' ' ' ARG . 2.2 mt-10 -74.34 135.68 42.5 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.792 -0.447 . . . . 10.0 109.792 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.36 -38.97 60.13 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.245 0.832 . . . . 10.0 113.245 -178.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.15 22.07 7.49 Favored Glycine 0 CA--C 1.521 0.41 0 C-N-CA 120.879 -0.677 . . . . 10.0 114.652 -178.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.528 ' HG2' ' HB2' ' B' ' 51' ' ' GLU . 23.2 mmt180 -117.02 167.22 11.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 117.832 0.816 . . . . 10.0 110.372 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.56 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 32.0 p -107.02 173.77 6.18 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.051 179.159 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 79.3 mt -67.39 -35.68 79.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.129 0.49 . . . . 10.0 110.33 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 13.7 m -70.56 -19.63 62.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.689 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.56 ' HB2' ' O ' ' B' ' 55' ' ' THR . 0.6 OUTLIER -61.52 -31.57 71.58 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.573 179.725 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -110.05 11.76 23.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.404 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 58.23 39.11 26.11 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.371 -0.831 . . . . 10.0 111.622 179.422 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 70.9 mt -77.47 127.19 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.582 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -108.09 -174.21 2.47 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.719 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -74.49 155.11 38.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.747 0.308 . . . . 10.0 110.77 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 64.72 16.32 10.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.427 -0.806 . . . . 10.0 112.149 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 23.5 m -81.68 153.24 26.71 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.104 -0.332 . . . . 10.0 110.104 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.8 m -102.04 123.21 45.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.787 0.327 . . . . 10.0 111.251 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 mp -109.61 137.22 47.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.079 -0.51 . . . . 10.0 109.655 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -95.72 125.5 40.34 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.793 0.33 . . . . 10.0 110.992 -179.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.505 HD23 HG22 ' B' ' 7' ' ' THR . 68.3 tp -107.35 103.59 12.99 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.878 0.371 . . . . 10.0 110.205 179.111 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 28.3 t -93.63 136.16 26.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.064 -0.517 . . . . 10.0 110.207 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.456 ' O ' ' HB2' ' D' ' 491' ' ' ASP . 75.2 mt -93.78 146.81 23.6 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 179.065 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.525 ' HG3' ' OD2' ' D' ' 491' ' ' ASP . 48.6 ttt-85 -123.3 117.73 25.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.969 0.414 . . . . 10.0 110.539 -179.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 8.0 mp -115.7 94.6 4.76 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.715 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -118.58 -38.74 3.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.656 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 102.27 -25.13 28.78 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.921 -0.657 . . . . 10.0 111.696 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.075 -1.403 . . . . 10.0 110.916 179.689 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 20.5 m . . . . . 0 N--CA 1.476 0.84 0 CA-C-O 120.209 0.052 . . . . 10.0 111.037 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 63.6 20.92 12.49 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.005 0.431 . . . . 10.0 111.251 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 1.1 m -66.78 -43.25 84.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.457 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -65.01 -36.82 85.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.372 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 51.7 mt -69.19 -43.38 74.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.961 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -65.21 -41.85 94.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.417 . . . . 10.0 110.528 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -65.14 -40.79 94.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.565 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 3.4 mtm -64.33 -43.35 94.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.755 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -59.35 -36.95 76.67 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.222 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -59.57 -36.68 76.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.698 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 463' ' ' GLN . . . . . 0.513 ' O ' ' HG2' ' D' ' 467' ' ' MET . 30.2 tp60 -64.69 -39.3 93.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.385 -0.37 . . . . 10.0 110.096 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 55.5 mt -66.25 -37.92 80.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.453 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -61.82 -26.89 68.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.628 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -83.72 -14.42 51.68 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.981 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 467' ' ' MET . . . . . 0.513 ' HG2' ' O ' ' D' ' 463' ' ' GLN . 74.4 mmm -96.59 -42.0 8.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.351 0.596 . . . . 10.0 109.924 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 468' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -122.99 91.32 49.93 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.843 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -81.35 30.69 0.52 Allowed 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.799 2.333 . . . . 10.0 111.735 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -133.57 14.12 4.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.168 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 471' ' ' VAL . . . . . . . . . . . . . 7.9 p -123.83 129.29 24.85 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.176 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 472' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -57.15 126.9 23.62 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.639 2.226 . . . . 10.0 112.09 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -55.29 -36.89 66.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.546 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -66.44 -22.14 66.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.487 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 21.3 mt -86.38 -30.37 22.19 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 45.8 t -68.42 -47.28 78.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.464 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 477' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' D' ' 481' ' ' GLN . 78.3 mt -60.77 -26.97 67.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.641 -0.709 . . . . 10.0 110.939 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -63.43 -57.9 8.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.476 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -70.41 -29.39 66.0 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.654 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -26.02 66.27 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.839 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 481' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' D' ' 477' ' ' LEU . 77.5 mt-30 -85.29 -17.35 37.16 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.792 0.329 . . . . 10.0 110.586 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -94.31 -61.18 1.57 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.06 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 5.2 p -76.94 -39.33 51.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.46 -0.336 . . . . 10.0 111.024 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 57.14 38.1 28.83 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.779 -0.646 . . . . 10.0 111.404 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 4.0 t -158.63 109.16 2.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.063 -0.517 . . . . 10.0 109.759 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 10.0 m -53.25 -31.4 18.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 111.831 0.308 . . . . 10.0 111.831 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -63.65 -26.32 68.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.428 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 21.6 mt -104.85 -34.67 3.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.061 0.458 . . . . 10.0 110.455 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 489' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' D' ' 492' ' ' ASN . 15.9 m -65.77 -50.44 64.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.569 -0.741 . . . . 10.0 112.167 -178.296 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 2.1 m -61.73 -38.69 88.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.049 0.452 . . . . 10.0 110.577 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 491' ' ' ASP . . . . . 0.525 ' OD2' ' HG3' ' B' ' 72' ' ' ARG . 35.0 t70 -72.39 -29.09 63.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.194 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 492' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' D' ' 489' ' ' THR . 4.5 m-20 -56.84 -27.91 60.87 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.846 178.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 10.9 mt -81.99 -25.51 9.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.239 0.542 . . . . 10.0 110.331 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 19.7 mt -89.56 -1.58 58.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.108 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 495' ' ' GLU . . . . . 0.438 ' HG2' HH12 ' B' ' 42' ' ' ARG . 15.8 mm-40 -121.36 -156.29 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.248 -0.887 . . . . 10.0 109.265 179.207 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 496' ' ' GLY . . . . . 0.424 ' H ' ' HB3' ' D' ' 495' ' ' GLU . . . -104.83 94.23 1.0 Allowed Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.253 -0.975 . . . . 10.0 111.864 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 2.1 tpp85 -148.2 -66.06 0.25 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.728 0.299 . . . . 10.0 110.844 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 2.6 mt -97.77 139.71 19.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.697 -0.483 . . . . 10.0 109.697 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -76.27 150.87 36.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.797 0.332 . . . . 10.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 500' ' ' VAL . . . . . 0.409 ' HA ' ' HD3' ' D' ' 501' ' ' PRO . 16.1 m -85.74 152.42 56.85 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.79 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 501' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' D' ' 500' ' ' VAL . 15.0 Cg_exo -68.34 90.11 0.39 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.635 2.223 . . . . 10.0 112.415 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -97.98 134.5 22.12 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.938 -0.574 . . . . 10.0 109.845 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -61.88 154.25 62.63 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.648 2.232 . . . . 10.0 112.604 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 8.0 t . . . . . 0 C--O 1.253 1.25 0 CA-C-O 119.012 -0.518 . . . . 10.0 110.533 -179.799 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.478 ' HB2' ' HB3' ' A' ' 63' ' ' LYS . 23.6 ptt? . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.698 0.285 . . . . 10.0 110.413 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -107.22 134.05 50.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.512 -0.313 . . . . 10.0 110.671 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.0 pt -119.28 156.89 21.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.067 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -116.3 117.93 31.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.932 0.396 . . . . 10.0 110.856 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.8 t -100.77 119.12 48.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.235 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 41.8 mmtt -97.68 117.58 32.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.992 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.81 161.37 19.96 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 98.1 mt -61.51 -19.75 62.43 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.921 0.391 . . . . 10.0 111.556 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.27 -10.92 58.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.108 0.48 . . . . 10.0 110.912 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.14 -10.72 55.14 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.994 -0.622 . . . . 10.0 112.075 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.86 134.03 56.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.909 0.385 . . . . 10.0 111.274 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m -111.56 111.2 22.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.729 -0.668 . . . . 10.0 110.003 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.9 mt -101.75 131.03 50.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.914 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 m -97.19 123.32 40.93 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.658 -0.497 . . . . 10.0 109.658 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.7 mt -122.58 142.88 50.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.018 0.437 . . . . 10.0 111.606 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -93.48 113.01 25.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.547 -0.751 . . . . 10.0 109.348 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.45 ' O ' ' HG2' ' A' ' 1' ' ' MET . 19.7 m -140.54 159.48 24.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.913 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -112.74 153.75 44.99 Favored Pre-proline 0 C--N 1.315 -0.931 0 N-CA-C 108.588 -0.893 . . . . 10.0 108.588 178.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.92 -28.81 50.81 Favored 'Trans proline' 0 CA--C 1.53 0.287 0 C-N-CA 122.139 1.892 . . . . 10.0 113.101 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 p -81.13 -0.13 38.78 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -78.44 145.53 35.0 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 120.86 0.362 . . . . 10.0 110.502 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.423 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -90.83 148.0 22.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.839 -179.807 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.7 mm -57.31 -36.16 51.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.971 0.415 . . . . 10.0 110.577 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -59.89 -39.27 84.77 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.386 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -73.21 -35.93 66.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.046 -0.525 . . . . 10.0 109.846 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 22' ' ' THR . 85.2 t -61.33 -44.59 98.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.956 -0.565 . . . . 10.0 109.717 178.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -65.62 -31.18 72.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.384 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.92 -36.54 82.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.211 0.529 . . . . 10.0 109.86 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.34 -33.97 76.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.013 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.5 mt -69.54 -33.77 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.784 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -68.24 -30.56 69.64 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.355 0.598 . . . . 10.0 109.814 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -75.6 -35.21 60.59 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.725 -0.67 . . . . 10.0 110.284 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -76.49 -61.26 2.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.694 -0.685 . . . . 10.0 111.77 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -85.37 -68.41 0.73 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.812 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 139.31 -18.18 3.09 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.753 -0.737 . . . . 10.0 111.642 -179.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.4 mt -61.87 125.91 86.03 Favored Pre-proline 0 C--N 1.326 -0.423 0 C-N-CA 122.167 0.187 . . . . 10.0 110.547 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.18 144.71 99.28 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.573 2.182 . . . . 10.0 112.039 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.09 -18.49 51.36 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.884 2.389 . . . . 10.0 112.916 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.17 -29.1 67.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.561 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -101.88 1.1 36.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.607 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -91.58 108.05 19.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.069 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -112.2 96.94 6.31 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.886 0.374 . . . . 10.0 110.07 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.4 mt -83.53 123.72 30.03 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.789 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 93.4 mt -119.8 127.44 75.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.216 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -118.16 108.99 15.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.442 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.61 30.54 20.17 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.725 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.71 -13.46 65.25 Favored Glycine 0 N--CA 1.455 -0.098 0 C-N-CA 120.917 -0.659 . . . . 10.0 112.658 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -94.16 119.0 32.37 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.608 -0.145 . . . . 10.0 110.608 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -75.73 124.52 27.41 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.26 -0.644 . . . . 10.0 109.26 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.4 mt -76.76 129.5 36.38 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.319 -0.401 . . . . 10.0 111.515 -178.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.476 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 24.2 mt-10 -84.78 154.12 22.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.989 -0.551 . . . . 10.0 109.718 178.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.99 -48.28 81.04 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.782 0.66 . . . . 10.0 112.782 -178.379 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.01 46.6 3.69 Favored Glycine 0 CA--C 1.516 0.127 0 C-N-CA 120.677 -0.773 . . . . 10.0 114.149 -178.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.476 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 20.2 mmt180 -135.6 163.12 30.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 117.031 0.415 . . . . 10.0 110.068 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.9 p -105.34 166.77 10.19 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.01 -0.367 . . . . 10.0 110.01 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.0 mt -66.21 -31.89 72.99 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.274 0.559 . . . . 10.0 110.147 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.83 -23.51 64.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.627 -0.715 . . . . 10.0 111.572 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -64.35 -30.98 72.01 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.827 0.346 . . . . 10.0 111.221 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -107.29 10.72 29.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.037 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.7 t30 63.38 30.6 15.46 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.682 -0.69 . . . . 10.0 111.691 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.8 mt -76.23 123.47 32.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.775 -0.454 . . . . 10.0 109.775 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -122.57 -167.97 1.66 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.787 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.478 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 5.6 pttt -65.63 151.77 45.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.473 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 64.49 28.79 13.45 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.579 0.55 . . . . 10.0 111.792 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.5 m -103.35 132.49 49.57 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.897 0.379 . . . . 10.0 110.445 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -98.36 134.19 41.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.862 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 mp -120.96 148.08 44.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.181 -0.463 . . . . 10.0 109.829 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -98.24 129.37 44.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.819 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.9 tp -104.23 99.69 9.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.068 -0.514 . . . . 10.0 110.027 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 42.1 t -93.75 136.69 24.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.309 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.3 mt -103.99 150.89 23.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.576 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 28.6 ttt180 -130.7 139.06 50.29 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.598 0.237 . . . . 10.0 110.902 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 46.1 mt -107.95 179.48 4.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.517 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -114.76 -52.48 2.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.795 0.331 . . . . 10.0 111.001 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -162.4 66.91 0.24 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.961 -0.638 . . . . 10.0 111.865 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.117 0 CA-C-O 117.948 -1.473 . . . . 10.0 110.942 179.92 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.46 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 26.9 ptt? . . . . . 0 N--CA 1.482 1.165 0 N-CA-C 109.83 -0.433 . . . . 10.0 109.83 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -90.81 133.13 35.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.995 0.426 . . . . 10.0 111.502 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 13.9 pt -125.03 162.1 27.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.648 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.413 ' O ' ' HA ' ' B' ' 66' ' ' THR . 86.3 m-85 -119.71 126.79 51.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.557 -0.292 . . . . 10.0 110.519 -179.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.414 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 42.5 t -110.08 125.95 67.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.654 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -93.73 147.71 22.79 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.848 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 35.9 p -127.97 162.09 27.6 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.826 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 61.3 mt -64.91 -21.59 66.85 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.121 0.486 . . . . 10.0 111.046 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.48 -4.57 58.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.939 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.89 11.77 83.47 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 121.087 -0.578 . . . . 10.0 112.037 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -91.64 102.86 15.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.811 0.339 . . . . 10.0 110.634 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.1 m -74.0 122.76 23.12 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.282 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.414 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 42.3 mt -100.98 137.19 29.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.278 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.44 136.01 44.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.497 -0.319 . . . . 10.0 110.291 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 42.1 mt -142.34 143.37 32.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.099 0.476 . . . . 10.0 111.254 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -104.53 103.0 12.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.391 -0.822 . . . . 10.0 108.911 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.46 ' O ' ' HG2' ' B' ' 1' ' ' MET . 26.9 m -133.68 174.78 12.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.514 -0.312 . . . . 10.0 110.363 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.49 ' O ' HD12 ' B' ' 56' ' ' LEU . 5.6 mm-40 -126.6 157.17 71.83 Favored Pre-proline 0 C--N 1.318 -0.764 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 179.306 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.06 -17.5 31.71 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.643 2.229 . . . . 10.0 112.993 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.96 -7.81 59.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.837 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -76.59 153.77 35.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.709 0.29 . . . . 10.0 110.592 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.44 ' O ' HG23 ' B' ' 26' ' ' VAL . 29.8 p -96.44 151.65 19.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.299 -0.41 . . . . 10.0 111.032 -178.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 38.1 mm -57.94 -41.12 79.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.041 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -62.16 -42.57 99.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.521 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.419 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 64.5 t30 -66.41 -36.08 81.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.948 0.404 . . . . 10.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 22' ' ' THR . 71.4 t -63.29 -43.77 98.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 10.0 109.722 178.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.429 ' HD2' ' HB2' ' B' ' 41' ' ' GLN . 50.6 mtmt -64.72 -30.72 71.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.445 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.49 -38.67 90.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.122 0.487 . . . . 10.0 110.044 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 18.4 mttm -64.69 -38.94 92.7 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.791 179.044 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 67.2 mt -68.29 -33.33 59.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.495 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.485 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 49.5 tt0 -65.86 -29.98 70.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.261 179.254 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -80.17 -43.28 21.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.526 -0.306 . . . . 10.0 110.606 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.2 mttt -71.43 -61.74 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.938 0.399 . . . . 10.0 111.903 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -79.16 -39.83 32.47 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.922 0.342 . . . . 10.0 111.922 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.485 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 96.26 16.88 36.19 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.51 -0.852 . . . . 10.0 112.283 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.9 mt -95.02 127.55 42.41 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 110.416 -0.216 . . . . 10.0 110.416 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 51.9 Cg_exo -55.33 132.91 55.07 Favored 'Trans proline' 0 CA--C 1.533 0.436 0 C-N-CA 122.6 2.2 . . . . 10.0 111.963 179.392 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 36.5 Cg_exo -60.06 -18.11 49.0 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.153 2.569 . . . . 10.0 112.895 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.53 -35.82 79.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.974 -0.557 . . . . 10.0 109.971 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -95.43 6.43 49.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.854 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.429 ' HB2' ' HD2' ' B' ' 27' ' ' LYS . 65.4 mt-30 -96.06 114.74 26.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.381 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.456 ' HD2' ' HD2' ' B' ' 72' ' ' ARG . 21.8 mtp180 -110.35 113.24 25.75 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.7 -0.852 . . . . 10.0 108.7 177.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 43' ' ' LEU . 16.0 mt -94.45 123.73 38.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.849 0.357 . . . . 10.0 110.851 -178.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -120.33 139.06 48.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.796 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.456 ' HB3' HD21 ' B' ' 50' ' ' LEU . 70.6 t80 -133.41 121.51 22.37 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.606 -0.725 . . . . 10.0 109.417 179.098 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.29 15.8 8.95 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.066 -0.515 . . . . 10.0 112.2 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.53 -0.86 46.05 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.751 -0.738 . . . . 10.0 113.362 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -118.81 152.75 35.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.93 0.365 . . . . 10.0 110.263 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.96 147.96 24.79 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.207 0.527 . . . . 10.0 112.013 -178.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.456 HD21 ' HB3' ' B' ' 45' ' ' PHE . 7.0 mt -103.05 128.73 49.8 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.018 -0.992 . . . . 10.0 108.754 178.303 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.5 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 48.9 mt-10 -78.19 153.94 31.55 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.723 0.297 . . . . 10.0 110.502 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.8 -47.81 84.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.736 -0.666 . . . . 10.0 111.58 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.53 48.12 3.9 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 121.047 -0.597 . . . . 10.0 113.133 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.5 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 37.6 mmt180 -136.66 161.26 36.41 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.89 -0.411 . . . . 10.0 109.89 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -105.0 159.17 16.03 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.955 -0.566 . . . . 10.0 109.721 179.165 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.49 HD12 ' O ' ' B' ' 18' ' ' GLU . 89.3 mt -63.61 -31.29 72.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.148 0.499 . . . . 10.0 110.63 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.7 p -70.07 -23.83 63.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.134 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.33 -19.66 64.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.577 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -112.58 12.64 19.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.455 -0.339 . . . . 10.0 110.379 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 57.49 34.82 25.13 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.65 -0.704 . . . . 10.0 112.099 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 66.7 mt -78.51 119.71 28.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.365 -0.379 . . . . 10.0 110.6 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -109.27 -172.71 2.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.333 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -71.94 162.71 29.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.284 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 60.08 27.1 16.5 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 123.415 0.447 . . . . 10.0 111.273 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 72.2 m -101.1 149.68 23.71 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.277 -0.419 . . . . 10.0 110.954 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 1.2 m -105.24 125.16 50.67 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.499 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -108.64 141.49 40.52 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.372 -0.973 . . . . 10.0 108.372 178.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.584 ' CE1' ' HA ' ' D' ' 467' ' ' MET . 97.4 m-70 -102.5 121.12 41.73 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 120.831 0.348 . . . . 10.0 111.275 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.5 tp -97.46 98.88 10.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.928 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.405 HG13 ' HB ' ' D' ' 490' ' ' THR . 69.8 t -93.31 130.23 42.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.394 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 79.8 mt -84.28 148.33 26.74 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.456 ' HD2' ' HD2' ' B' ' 42' ' ' ARG . 21.1 ttt180 -128.09 121.69 30.25 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.87 0.367 . . . . 10.0 111.001 -179.214 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 8.4 mp -110.31 12.76 23.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.572 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.46 ' HD2' ' HG3' ' D' ' 495' ' ' GLU . 0.0 OUTLIER -72.06 -30.71 65.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.637 179.841 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.88 -76.35 2.25 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.843 -0.617 . . . . 10.0 112.68 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.685 -1.064 . . . . 10.0 112.418 -179.462 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.477 0.9 0 CA-C-O 120.569 0.223 . . . . 10.0 110.845 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 67.88 20.59 9.24 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.874 -0.603 . . . . 10.0 111.713 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.53 -62.05 2.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.747 0.308 . . . . 10.0 110.961 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -69.98 -27.83 65.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.569 -0.287 . . . . 10.0 111.05 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.62 -42.58 99.67 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -71.3 -36.97 71.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.382 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -67.57 -33.78 75.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.879 -0.601 . . . . 10.0 110.777 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 61.9 mtm -79.38 -29.81 42.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.53 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -65.4 -37.51 87.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.99 0.424 . . . . 10.0 110.46 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -64.45 -27.57 69.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.375 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -64.52 -40.9 96.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.004 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 56.6 mt -72.92 -32.18 38.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.278 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -65.5 -27.06 68.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.222 0.534 . . . . 10.0 110.131 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -77.06 -12.6 59.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.241 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 467' ' ' MET . . . . . 0.584 ' HA ' ' CE1' ' B' ' 68' ' ' HIS . 29.1 mmm -102.55 -47.64 4.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.431 -0.804 . . . . 10.0 109.985 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 468' ' ' PHE . . . . . 0.558 ' O ' HG12 ' D' ' 471' ' ' VAL . 66.7 m-85 -121.57 94.41 48.5 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.181 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -81.17 -2.65 11.8 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.286 1.991 . . . . 10.0 112.974 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 11.7 pm0 -99.16 -3.49 34.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.782 0.325 . . . . 10.0 111.416 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 471' ' ' VAL . . . . . 0.558 HG12 ' O ' ' D' ' 468' ' ' PHE . 9.9 p -94.07 135.34 24.74 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.589 -0.278 . . . . 10.0 110.405 -179.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 472' ' ' PRO . . . . . 0.437 ' HB3' ' CE1' ' D' ' 474' ' ' HIS . 32.6 Cg_exo -60.55 123.54 13.25 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.484 2.123 . . . . 10.0 112.136 178.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -57.19 -37.38 72.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.898 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 474' ' ' HIS . . . . . 0.437 ' CE1' ' HB3' ' D' ' 472' ' ' PRO . 53.7 p-80 -67.69 -24.42 65.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.592 0.234 . . . . 10.0 111.18 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 475' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' D' ' 475' ' ' LEU . 19.9 mt -80.27 -30.5 38.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.041 0.448 . . . . 10.0 109.913 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 57.9 t -65.93 -42.27 91.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.813 -0.631 . . . . 10.0 109.444 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.7 -20.79 66.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.908 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -73.13 -52.58 13.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.595 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 479' ' ' ASP . . . . . 0.549 ' HB3' HG23 ' D' ' 489' ' ' THR . 11.9 t70 -69.14 -32.4 71.74 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.938 0.399 . . . . 10.0 110.775 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.16 -30.01 67.85 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.168 0.508 . . . . 10.0 110.67 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -94.59 8.24 42.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.218 0.532 . . . . 10.0 110.526 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.41 -58.11 2.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.098 179.577 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 47.0 p -88.41 -32.75 18.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.419 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? 66.03 25.6 10.91 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.787 -0.642 . . . . 10.0 111.271 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 43.2 m -152.07 114.61 4.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.368 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 15.3 m -57.26 -29.62 33.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.44 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -65.5 -24.42 67.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.464 . . . . 10.0 111.01 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 30.7 mt -99.31 -31.86 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.96 0.409 . . . . 10.0 110.027 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 489' ' ' THR . . . . . 0.549 HG23 ' HB3' ' D' ' 479' ' ' ASP . 89.1 m -64.34 -53.48 48.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.362 -0.835 . . . . 10.0 111.443 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 490' ' ' THR . . . . . 0.405 ' HB ' HG13 ' B' ' 70' ' ' VAL . 1.5 m -59.57 -38.89 82.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.787 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 491' ' ' ASP . . . . . 0.421 ' O ' ' HG2' ' D' ' 495' ' ' GLU . 31.1 t70 -67.93 -41.19 82.93 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 178.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -54.98 -37.76 66.95 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.273 -0.876 . . . . 10.0 110.671 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 493' ' ' ILE . . . . . 0.449 HG13 ' O ' ' D' ' 489' ' ' THR . 59.7 mt -66.19 -43.21 92.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.188 179.377 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 76.1 mt -68.08 -35.93 78.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 495' ' ' GLU . . . . . 0.46 ' HG3' ' HD2' ' B' ' 74' ' ' ARG . 7.1 mm-40 -69.81 -36.52 75.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.257 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 116.7 27.57 2.75 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.278 -0.963 . . . . 10.0 113.005 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -82.42 -41.6 19.66 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 3.8 mp -93.19 132.36 37.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.575 -0.739 . . . . 10.0 109.023 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -69.76 141.68 53.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.013 0.435 . . . . 10.0 111.144 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 20.2 m -90.32 162.02 35.67 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.075 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.8 110.61 0.56 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.588 2.192 . . . . 10.0 112.317 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -97.94 122.25 55.17 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.134 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -72.19 118.29 5.54 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.302 2.001 . . . . 10.0 111.707 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.353 -0.832 . . . . 10.0 110.22 -179.764 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.483 1.207 0 CA-C-O 120.678 0.275 . . . . 10.0 110.378 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -105.66 146.88 29.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.644 0.259 . . . . 10.0 110.683 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.7 pt -129.98 160.56 40.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.699 -0.482 . . . . 10.0 109.699 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -116.28 111.14 19.7 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.069 0.461 . . . . 10.0 111.136 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.2 t -97.44 120.41 46.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.988 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -94.26 123.76 37.86 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.141 0.496 . . . . 10.0 110.935 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.98 163.21 14.08 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.045 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.4 mt -58.13 -30.38 66.28 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.854 0.359 . . . . 10.0 111.656 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.07 4.85 13.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 10.0 112.196 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.72 5.53 89.34 Favored Glycine 0 C--N 1.329 0.165 0 C-N-CA 120.834 -0.698 . . . . 10.0 112.183 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -77.38 143.83 38.4 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.003 -0.369 . . . . 10.0 110.003 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.7 m -114.0 116.91 29.95 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.254 -0.43 . . . . 10.0 109.925 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.0 mt -105.33 128.85 58.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.68 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.44 138.2 38.76 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mt -146.51 139.92 25.8 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.844 0.354 . . . . 10.0 111.268 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -82.46 123.75 29.44 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.602 -0.726 . . . . 10.0 109.89 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.2 m -139.3 159.64 28.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.683 -0.69 . . . . 10.0 110.472 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -117.28 157.14 47.85 Favored Pre-proline 0 C--N 1.32 -0.715 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -55.45 -30.26 72.68 Favored 'Trans proline' 0 CA--C 1.531 0.372 0 C-N-CA 122.5 2.133 . . . . 10.0 112.866 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.55 1.77 54.27 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.17 0.433 . . . . 10.0 112.17 -179.266 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -74.59 143.73 44.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.769 0.319 . . . . 10.0 110.502 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.452 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -93.64 147.78 22.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.113 -179.444 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.42 HG12 ' O ' ' A' ' 54' ' ' ARG . 48.5 mm -57.34 -36.01 51.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-O 120.949 0.404 . . . . 10.0 110.81 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -57.9 -42.9 85.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.284 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -71.31 -36.49 71.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.304 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 22' ' ' THR . 97.0 t -60.83 -43.81 96.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.507 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -63.58 -33.63 76.04 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.97 0.414 . . . . 10.0 110.136 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.73 -33.4 72.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.699 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -67.09 -37.57 84.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.042 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.0 mt -71.64 -36.25 58.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 108.911 -0.774 . . . . 10.0 108.911 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -63.09 -38.01 89.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.35 -0.841 . . . . 10.0 109.762 178.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -65.96 -25.7 67.23 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.375 -0.829 . . . . 10.0 111.109 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -94.06 -57.09 2.63 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.202 0.445 . . . . 10.0 112.202 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -82.66 -43.62 16.71 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.396 0.517 . . . . 10.0 112.396 -178.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.2 18.08 16.05 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 120.799 -0.715 . . . . 10.0 112.45 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.8 mt -94.4 126.13 49.33 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 122.86 -0.2 . . . . 10.0 110.525 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.54 135.13 67.82 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.715 2.277 . . . . 10.0 112.19 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.36 -25.81 49.8 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.304 2.669 . . . . 10.0 113.471 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -65.63 -36.76 84.63 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.067 0.46 . . . . 10.0 111.527 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -90.69 5.43 48.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.058 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -102.39 113.31 26.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.645 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.3 mtt180 -115.17 108.79 17.09 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.418 -0.586 . . . . 10.0 109.418 177.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.7 mt -92.37 126.83 37.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.248 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.1 mp -118.32 131.08 72.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.293 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.494 ' HB3' HD21 ' A' ' 50' ' ' LEU . 75.6 t80 -125.68 115.64 20.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.051 -0.522 . . . . 10.0 109.836 179.286 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.26 28.25 17.83 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.524 0.515 . . . . 10.0 111.562 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.21 -1.54 82.67 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.947 -0.644 . . . . 10.0 112.71 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt -108.04 138.54 44.12 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.1 -0.333 . . . . 10.0 110.1 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -80.14 137.8 36.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.757 0.313 . . . . 10.0 110.404 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.494 HD21 ' HB3' ' A' ' 45' ' ' PHE . 55.1 mt -87.91 119.64 28.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.434 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -79.07 138.18 37.85 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.22 -0.446 . . . . 10.0 110.636 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.6 -42.38 71.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.618 -0.719 . . . . 10.0 112.473 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.36 25.77 3.67 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.996 -0.621 . . . . 10.0 113.827 -178.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.42 ' O ' HG12 ' A' ' 23' ' ' ILE . 72.4 mmt-85 -127.45 163.14 24.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 117.079 0.44 . . . . 10.0 110.241 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.7 p -106.04 177.85 4.73 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.422 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.0 mt -69.34 -32.72 71.98 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.231 0.538 . . . . 10.0 110.153 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.2 m -71.6 -13.61 61.82 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.705 -0.68 . . . . 10.0 111.126 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -77.5 -14.09 59.76 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.454 -0.339 . . . . 10.0 110.956 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -125.33 13.56 8.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.154 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.3 t30 60.17 33.77 21.09 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.934 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.6 mt -75.89 111.45 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.805 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -95.13 -167.7 1.67 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.793 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.7 pttt -73.67 144.27 45.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.684 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 61.21 32.31 19.45 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.935 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.6 m -75.34 156.92 35.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.669 0.271 . . . . 10.0 110.47 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.2 m -95.87 111.96 23.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.385 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -109.36 126.19 53.14 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.736 -0.468 . . . . 10.0 109.736 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -98.88 127.2 44.74 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 110.07 -0.344 . . . . 10.0 110.07 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.6 tp -107.02 123.41 48.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.036 0.446 . . . . 10.0 111.353 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.0 t -120.14 134.72 62.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.698 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 67.0 mt -88.79 157.83 18.35 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.336 -0.246 . . . . 10.0 110.336 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 72' ' ' ARG . 55.9 ttt-85 -124.79 111.78 15.92 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.749 0.309 . . . . 10.0 111.037 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.6 mt -130.27 129.81 43.76 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.39 45.77 0.15 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.131 0.491 . . . . 10.0 110.787 -179.042 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -139.79 45.35 1.01 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.577 -0.821 . . . . 10.0 112.364 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 119.098 -0.834 . . . . 10.0 111.357 179.762 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.511 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 23.2 ptt? . . . . . 0 N--CA 1.483 1.197 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -106.17 142.62 35.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.943 0.402 . . . . 10.0 111.691 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.6 pt -128.08 160.55 37.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.201 -0.666 . . . . 10.0 109.201 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.437 ' O ' ' HA ' ' B' ' 66' ' ' THR . 51.0 m-85 -120.41 113.46 20.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.114 0.483 . . . . 10.0 111.099 -178.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -101.03 131.57 48.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.894 -0.594 . . . . 10.0 109.891 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -113.09 129.1 56.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.908 0.385 . . . . 10.0 110.777 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.435 HG22 HD23 ' B' ' 69' ' ' LEU . 73.3 p -93.22 171.76 8.72 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.416 HD23 ' HG3' ' D' ' 467' ' ' MET . 43.7 mt -70.79 -8.85 55.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.198 0.523 . . . . 10.0 110.852 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.77 -1.96 54.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.662 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.61 16.73 67.68 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.8 -0.714 . . . . 10.0 112.419 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 43.7 tttp -91.69 131.24 37.22 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.305 -0.257 . . . . 10.0 110.305 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.3 m -104.29 113.22 26.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.84 0.352 . . . . 10.0 110.312 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.6 mt -103.63 123.23 57.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.279 -0.418 . . . . 10.0 110.629 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.3 m -88.17 123.7 33.08 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.211 -0.449 . . . . 10.0 109.924 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 80.9 mt -124.34 145.21 49.57 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.84 0.352 . . . . 10.0 111.263 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -97.04 121.3 38.78 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.43 -0.581 . . . . 10.0 109.43 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.511 ' O ' ' HG2' ' B' ' 1' ' ' MET . 15.4 m -141.59 -175.9 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.723 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.496 ' O ' HD12 ' B' ' 56' ' ' LEU . 53.4 mm-40 -142.95 155.8 62.34 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 108.324 -0.991 . . . . 10.0 108.324 178.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -53.23 -31.21 54.77 Favored 'Trans proline' 0 CA--C 1.532 0.424 0 C-N-CA 122.618 2.212 . . . . 10.0 113.371 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.64 6.7 29.76 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.388 0.514 . . . . 10.0 112.388 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -73.75 158.52 34.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.112 0.482 . . . . 10.0 110.304 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.9 m -105.19 142.78 34.37 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.552 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 50.5 mm -53.38 -42.51 48.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-O 120.814 0.34 . . . . 10.0 111.19 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -58.27 -42.97 87.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.827 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -64.61 -38.36 90.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.25 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 67.0 t -61.54 -43.24 96.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 10.0 109.699 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -64.61 -35.31 80.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.242 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.58 -35.69 81.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.925 -0.58 . . . . 10.0 109.831 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -66.31 -38.62 88.12 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.875 179.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 82.5 mt -67.22 -35.37 73.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.165 -0.68 . . . . 10.0 109.165 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -70.14 -28.07 65.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.245 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -74.9 -45.93 39.37 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.943 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -76.87 -46.83 23.13 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.231 0.456 . . . . 10.0 112.231 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -93.05 -58.45 2.32 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 -178.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.08 0.28 10.63 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.701 -0.761 . . . . 10.0 112.303 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 15.7 mt -72.84 124.8 91.15 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 110.495 -0.187 . . . . 10.0 110.495 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -59.19 135.16 64.03 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.438 2.092 . . . . 10.0 111.909 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -55.57 -17.79 18.26 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.324 2.682 . . . . 10.0 113.395 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.63 -28.32 62.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.936 0.398 . . . . 10.0 111.163 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -103.21 13.64 33.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.951 0.405 . . . . 10.0 110.58 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -102.51 108.57 19.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.124 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -111.49 110.22 20.54 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.198 -0.667 . . . . 10.0 109.198 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 32.7 mt -94.02 134.35 36.52 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.138 0.494 . . . . 10.0 111.431 -178.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.434 HG12 ' CE2' ' D' ' 468' ' ' PHE . 1.6 mp -123.65 132.72 70.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.485 -0.779 . . . . 10.0 109.69 179.532 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.607 ' HB3' HD21 ' B' ' 50' ' ' LEU . 76.0 t80 -137.03 124.54 22.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.999 -0.546 . . . . 10.0 109.912 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.61 37.7 19.17 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.463 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.21 29.15 68.94 Favored Glycine 0 CA--C 1.517 0.172 0 C-N-CA 120.846 -0.693 . . . . 10.0 112.972 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -143.98 147.55 34.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.568 0.223 . . . . 10.0 110.481 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.77 142.17 31.79 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.384 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.607 HD21 ' HB3' ' B' ' 45' ' ' PHE . 31.9 mt -93.8 149.04 21.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.147 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.428 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 38.0 mt-10 -98.75 151.64 20.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.249 -0.432 . . . . 10.0 109.973 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.48 -52.09 66.69 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.397 0.518 . . . . 10.0 112.397 -178.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.3 58.92 4.95 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.802 -0.713 . . . . 10.0 113.342 -178.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.428 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 25.3 mmt180 -141.33 160.7 39.57 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.277 -0.268 . . . . 10.0 110.277 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.518 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 69.7 p -103.81 171.12 7.53 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.528 -0.545 . . . . 10.0 109.528 178.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.496 HD12 ' O ' ' B' ' 18' ' ' GLU . 27.2 mt -68.35 -33.67 74.71 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.204 -0.665 . . . . 10.0 109.204 178.542 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.97 -22.94 65.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.511 -0.768 . . . . 10.0 111.441 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.518 ' HB2' ' O ' ' B' ' 55' ' ' THR . 0.7 OUTLIER -57.08 -46.22 82.7 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.068 0.461 . . . . 10.0 111.058 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -103.13 12.21 36.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.293 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 59.54 38.07 22.51 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.34 -0.846 . . . . 10.0 111.974 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 62.1 mt -74.8 107.4 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.981 -0.554 . . . . 10.0 109.637 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -95.98 -165.48 1.29 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.802 -0.636 . . . . 10.0 110.93 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -79.45 153.86 29.34 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.453 -0.339 . . . . 10.0 110.437 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 69.44 6.32 5.63 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.694 0.621 . . . . 10.0 111.98 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 13.0 m -74.32 147.67 42.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.905 0.383 . . . . 10.0 111.093 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.437 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 2.0 m -99.15 129.74 45.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.304 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -115.84 130.99 57.06 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.237 -0.438 . . . . 10.0 109.939 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -88.15 120.39 29.46 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.44 -0.346 . . . . 10.0 110.074 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.435 HD23 HG22 ' B' ' 7' ' ' THR . 51.6 tp -104.72 107.45 18.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.169 0.509 . . . . 10.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 68.6 t -96.61 122.9 48.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.592 -0.731 . . . . 10.0 109.709 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 55.3 mt -83.62 119.87 25.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.674 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.509 ' HA ' ' CG ' ' D' ' 491' ' ' ASP . 0.5 OUTLIER -85.49 137.08 33.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.709 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 1.8 mp -143.19 110.84 5.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.203 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -124.75 -45.17 1.92 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.39 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -176.42 88.84 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.656 -0.783 . . . . 10.0 112.282 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.77 -1.016 . . . . 10.0 112.108 179.657 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 453' ' ' SER . . . . . 0.447 ' HB2' ' OG ' ' D' ' 455' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.477 0.881 0 CA-C-O 120.547 0.213 . . . . 10.0 110.507 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 67.08 14.18 9.72 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.822 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 455' ' ' SER . . . . . 0.447 ' OG ' ' HB2' ' D' ' 453' ' ' SER . 0.7 OUTLIER -60.47 -43.45 96.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.043 0.449 . . . . 10.0 111.105 -179.712 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -68.52 -41.16 80.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.315 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 59.3 mt -66.23 -38.17 87.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.566 -0.743 . . . . 10.0 110.886 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -63.54 -41.41 98.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.463 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.7 92.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.379 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 41.5 mtt -67.66 -46.01 73.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.949 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.39 -38.56 84.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.682 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -59.92 -35.46 74.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.256 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -68.77 -39.04 80.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.026 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 61.4 mt -67.5 -34.63 69.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.668 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 -63.84 -23.6 67.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.581 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -80.64 -19.39 45.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.447 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 467' ' ' MET . . . . . 0.416 ' HG3' HD23 ' B' ' 8' ' ' LEU . 62.6 mmm -85.27 -49.45 8.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.02 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 468' ' ' PHE . . . . . 0.47 ' O ' HG12 ' D' ' 471' ' ' VAL . 0.5 OUTLIER -124.11 91.34 49.72 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.979 179.299 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -78.54 41.64 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.805 2.337 . . . . 10.0 112.942 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -147.37 18.3 1.19 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.072 0.463 . . . . 10.0 110.709 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 471' ' ' VAL . . . . . 0.47 HG12 ' O ' ' D' ' 468' ' ' PHE . 10.6 p -115.51 133.12 22.81 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.846 -0.616 . . . . 10.0 109.941 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 472' ' ' PRO . . . . . 0.445 ' HB3' ' CE1' ' D' ' 474' ' ' HIS . 52.5 Cg_exo -56.05 116.26 3.05 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.549 2.166 . . . . 10.0 112.224 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -54.89 -38.31 67.39 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.964 -179.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 474' ' ' HIS . . . . . 0.445 ' CE1' ' HB3' ' D' ' 472' ' ' PRO . 12.2 p-80 -64.0 -25.81 68.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.578 -0.283 . . . . 10.0 111.485 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 39.7 mt -85.55 -29.34 24.25 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.067 -0.346 . . . . 10.0 110.067 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 58.5 t -65.76 -40.92 89.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 108.808 -0.812 . . . . 10.0 108.808 178.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 49.1 mt -66.14 -26.78 67.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.519 -0.764 . . . . 10.0 110.637 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -63.34 -49.36 74.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.064 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 479' ' ' ASP . . . . . 0.584 ' HB2' HD11 ' D' ' 498' ' ' ILE . 10.9 t0 -74.95 -28.46 60.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.972 0.415 . . . . 10.0 110.295 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.17 -25.48 67.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.999 0.428 . . . . 10.0 110.258 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -92.83 -2.67 55.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.184 0.516 . . . . 10.0 110.078 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -103.89 -68.18 0.86 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.547 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.94 -41.01 37.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.081 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 63.06 37.58 11.5 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.89 -0.595 . . . . 10.0 111.508 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 50.6 m -155.94 109.21 2.71 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.037 -0.357 . . . . 10.0 110.037 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 5.2 m -45.65 -36.9 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 113.396 0.888 . . . . 10.0 113.396 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -64.12 -65.22 0.71 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.033 0.444 . . . . 10.0 111.08 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 488' ' ' ILE . . . . . 0.449 ' H ' HG13 ' D' ' 488' ' ' ILE . 16.3 mt -58.29 -35.9 55.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.452 -0.795 . . . . 10.0 112.026 -179.03 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 33.0 m -65.64 -63.23 1.14 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.039 -0.528 . . . . 10.0 112.251 -178.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 3.3 m -57.0 -39.05 73.95 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.186 0.439 . . . . 10.0 112.186 -177.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 491' ' ' ASP . . . . . 0.509 ' CG ' ' HA ' ' B' ' 72' ' ' ARG . 5.3 t0 -62.72 -57.68 10.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.906 0.384 . . . . 10.0 111.844 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 492' ' ' ASN . . . . . 0.411 ' HB3' ' HD3' ' D' ' 497' ' ' ARG . 37.8 m-80 -64.52 -22.43 66.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.387 -178.64 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 493' ' ' ILE . . . . . 0.425 HG12 HD13 ' D' ' 498' ' ' ILE . 11.6 mt -64.18 -37.0 78.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 178.14 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.96 -23.0 66.11 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.949 -0.568 . . . . 10.0 111.013 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -85.42 -3.12 58.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.535 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 95.31 31.56 7.5 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.504 -0.855 . . . . 10.0 112.502 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 497' ' ' ARG . . . . . 0.411 ' HD3' ' HB3' ' D' ' 492' ' ' ASN . 2.3 ttt180 -73.95 -34.03 64.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.463 0.649 . . . . 10.0 109.316 178.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 498' ' ' ILE . . . . . 0.584 HD11 ' HB2' ' D' ' 479' ' ' ASP . 1.4 mp -104.92 134.43 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 108.537 -0.912 . . . . 10.0 108.537 178.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -61.65 116.78 5.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.92 0.391 . . . . 10.0 110.923 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 30.1 m -71.94 156.97 90.36 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.835 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -69.37 91.26 0.47 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.746 2.298 . . . . 10.0 111.931 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -100.14 132.93 21.93 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.919 -0.582 . . . . 10.0 109.921 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.79 132.42 45.15 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.646 2.231 . . . . 10.0 112.289 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 11.9 t . . . . . 0 C--O 1.252 1.192 0 CA-C-O 118.567 -0.73 . . . . 10.0 109.749 179.705 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 109.916 -0.401 . . . . 10.0 109.916 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -107.84 131.55 54.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.914 0.388 . . . . 10.0 111.375 -179.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.4 pt -121.92 151.53 25.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.974 -0.557 . . . . 10.0 109.543 178.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -113.25 119.57 38.17 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.717 0.294 . . . . 10.0 110.879 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 63.9 t -105.49 121.21 57.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.268 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -97.17 138.92 33.93 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.044 0.449 . . . . 10.0 110.793 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.417 ' OG1' ' HB3' ' A' ' 11' ' ' LYS . 9.2 p -105.77 168.84 8.84 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.012 179.331 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.3 mt -59.44 -29.31 67.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 10.0 111.456 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.8 -5.62 57.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.773 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.46 -9.65 71.53 Favored Glycine 0 C--N 1.33 0.209 0 C-N-CA 120.741 -0.743 . . . . 10.0 112.948 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' HB3' ' OG1' ' A' ' 7' ' ' THR . 27.8 tttp -62.61 125.38 23.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.636 0.255 . . . . 10.0 110.411 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.1 m -102.23 113.76 27.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.816 0.341 . . . . 10.0 110.634 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.0 mt -103.23 124.33 57.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.773 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 m -94.58 125.85 39.49 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.61 -0.515 . . . . 10.0 109.61 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.5 mt -122.34 140.73 52.33 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.743 0.306 . . . . 10.0 111.147 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -93.9 111.79 23.54 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 108.991 -0.744 . . . . 10.0 108.991 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 22.9 m -134.8 176.06 9.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.427 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -132.75 160.25 69.21 Favored Pre-proline 0 C--N 1.319 -0.722 0 N-CA-C 109.07 -0.715 . . . . 10.0 109.07 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.9 -27.95 56.29 Favored 'Trans proline' 0 N--CA 1.474 0.354 0 C-N-CA 122.646 2.231 . . . . 10.0 113.572 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.19 5.35 41.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.477 -0.328 . . . . 10.0 111.785 -179.484 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -80.73 140.72 35.41 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.745 0.307 . . . . 10.0 110.225 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.47 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -87.6 148.0 25.04 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.571 -179.699 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.1 mm -57.96 -37.12 59.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.922 0.392 . . . . 10.0 110.062 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -59.64 -44.46 93.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.266 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -65.68 -36.29 83.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.883 -0.598 . . . . 10.0 110.161 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 22' ' ' THR . 90.2 t -62.5 -44.64 99.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.987 -0.551 . . . . 10.0 109.97 178.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -66.05 -33.24 75.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.221 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.42 -34.67 78.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.065 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -68.5 -39.91 81.09 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.474 -0.565 . . . . 10.0 109.474 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 55.5 mt -67.65 -34.2 66.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 121.625 0.726 . . . . 10.0 109.35 178.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.461 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 27.3 tt0 -64.55 -30.65 71.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.801 -1.09 . . . . 10.0 110.393 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -86.32 -33.81 20.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.345 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm -69.61 -59.26 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.493 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -94.6 -47.78 6.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.745 0.307 . . . . 10.0 111.425 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.461 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 118.99 -5.14 13.79 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.491 -0.862 . . . . 10.0 112.091 -179.225 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.1 mt -60.68 126.19 84.54 Favored Pre-proline 0 C--N 1.324 -0.51 0 C-N-CA 122.588 0.355 . . . . 10.0 111.234 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -60.86 129.4 28.86 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.476 2.117 . . . . 10.0 111.868 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -52.35 -24.18 20.56 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.367 2.711 . . . . 10.0 113.912 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.12 -35.31 80.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.808 0.337 . . . . 10.0 111.383 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -94.01 -3.67 50.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.835 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -82.02 103.94 12.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.382 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.402 HH22 ' HA ' ' D' ' 472' ' ' PRO . 39.4 ttt180 -107.79 100.03 9.44 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.721 -0.474 . . . . 10.0 109.721 178.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.401 ' HB3' HD12 ' A' ' 50' ' ' LEU . 34.4 mt -86.87 130.11 34.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.284 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.6 mt -130.75 135.85 59.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.761 -0.654 . . . . 10.0 109.766 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -129.28 109.92 11.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.96 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.49 24.43 14.06 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.916 -0.583 . . . . 10.0 111.786 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.19 -9.34 59.48 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.754 -0.736 . . . . 10.0 112.195 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -90.88 121.75 33.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.361 0.124 . . . . 10.0 110.765 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -76.74 122.1 24.25 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.783 -0.821 . . . . 10.0 108.783 178.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.401 HD12 ' HB3' ' A' ' 43' ' ' LEU . 12.4 mt -87.37 121.92 30.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.87 0.367 . . . . 10.0 111.642 -178.42 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.439 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 45.2 mt-10 -84.83 146.58 27.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.641 178.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -61.17 -36.01 78.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.066 -0.515 . . . . 10.0 111.93 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.62 28.5 3.49 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 121.103 -0.57 . . . . 10.0 113.707 -178.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.439 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 17.9 mmt180 -129.52 165.41 21.73 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.823 -0.436 . . . . 10.0 109.823 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 48.1 p -106.16 172.0 7.04 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.627 -0.509 . . . . 10.0 109.627 178.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.9 mt -67.15 -27.15 67.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.232 0.539 . . . . 10.0 110.388 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.8 m -75.83 -23.18 55.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.938 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.3 m-20 -61.61 -37.84 85.41 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.33 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -102.75 8.12 39.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.446 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 61.23 64.85 1.04 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 123.948 0.78 . . . . 10.0 111.015 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 54.0 mt -112.16 126.93 69.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.048 -0.523 . . . . 10.0 109.895 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -120.48 -170.79 2.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.042 0.448 . . . . 10.0 110.912 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -64.23 155.97 30.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.98 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 70.28 -5.95 1.24 Allowed 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.289 0.636 . . . . 10.0 112.394 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.7 m -72.55 137.43 46.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.882 0.372 . . . . 10.0 110.532 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.9 m -102.19 125.0 48.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.456 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 mp -105.81 158.51 16.69 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.694 -0.684 . . . . 10.0 109.361 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -120.15 137.88 53.91 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 121.04 -0.264 . . . . 10.0 110.384 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.5 tp -117.3 113.51 22.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.122 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.1 t -108.8 136.04 45.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.178 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.5 mt -84.17 101.84 12.15 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.615 -0.266 . . . . 10.0 110.429 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -73.85 84.66 1.69 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.875 0.369 . . . . 10.0 111.033 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 84.7 mt -82.63 125.56 31.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.033 -0.53 . . . . 10.0 110.141 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -114.4 16.71 17.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.094 0.473 . . . . 10.0 110.398 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.65 155.82 27.36 Favored Glycine 0 N--CA 1.446 -0.664 0 CA-C-N 115.79 -0.641 . . . . 10.0 111.675 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.947 0 CA-C-O 119.065 -0.853 . . . . 10.0 111.645 -179.815 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.412 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 25.2 ptt? . . . . . 0 N--CA 1.475 0.82 0 N-CA-C 109.953 -0.388 . . . . 10.0 109.953 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -93.71 139.86 30.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.954 0.407 . . . . 10.0 111.73 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.5 pt -127.74 148.17 32.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.477 -0.783 . . . . 10.0 109.571 178.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -105.42 109.78 21.89 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.9 0.381 . . . . 10.0 110.573 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -93.47 117.4 36.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.273 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -92.97 132.36 37.13 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.759 -0.459 . . . . 10.0 109.759 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 33.2 p -114.87 161.34 18.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.784 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 24.3 mt -69.57 -14.79 63.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.975 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.47 -4.41 58.92 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.847 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.96 26.63 48.54 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.996 -0.621 . . . . 10.0 112.617 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -112.3 124.57 52.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.633 0.254 . . . . 10.0 110.547 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -95.27 113.1 24.74 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 6.8 mt -97.21 125.25 50.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.147 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.24 114.48 26.58 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.782 -0.645 . . . . 10.0 109.652 179.171 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 93.9 mt -116.24 143.83 45.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.125 0.488 . . . . 10.0 112.113 -178.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -95.4 109.12 21.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.269 -0.878 . . . . 10.0 108.74 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.412 ' O ' ' HG2' ' B' ' 1' ' ' MET . 18.9 m -134.63 173.01 15.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.101 0.477 . . . . 10.0 111.027 -178.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.579 ' O ' HD12 ' B' ' 56' ' ' LEU . 56.8 mm-40 -131.1 152.57 80.88 Favored Pre-proline 0 C--N 1.317 -0.839 0 N-CA-C 108.607 -0.886 . . . . 10.0 108.607 178.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.29 -31.15 65.62 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.357 2.038 . . . . 10.0 112.259 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -84.01 5.95 23.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.778 -0.646 . . . . 10.0 112.257 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -84.24 137.93 33.22 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.886 -0.412 . . . . 10.0 109.886 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.6 m -80.63 144.37 32.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.768 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.44 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 45.6 mm -56.38 -40.38 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 CA-C-N 116.566 -0.288 . . . . 10.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -56.62 -38.17 71.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.038 0.446 . . . . 10.0 110.59 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.44 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 66.3 t30 -68.56 -36.55 78.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.075 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.42 ' O ' HG13 ' B' ' 30' ' ' ILE . 46.6 t -65.04 -39.16 84.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 178.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' B' ' 23' ' ' ILE . 7.4 mmmm -61.21 -39.05 88.79 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.78 -0.646 . . . . 10.0 109.932 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.52 ' O ' ' HG2' ' B' ' 31' ' ' GLN . . . -66.87 -37.85 85.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.531 -0.759 . . . . 10.0 110.489 179.274 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 96.3 mttt -63.2 -30.54 71.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.09 0.471 . . . . 10.0 110.036 179.334 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.42 HG13 ' O ' ' B' ' 26' ' ' VAL . 73.3 mt -72.45 -32.19 41.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.122 -0.49 . . . . 10.0 109.825 178.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' B' ' 28' ' ' ALA . 4.7 pt20 -77.81 -23.84 48.94 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 178.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -77.27 -44.61 29.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.367 -0.833 . . . . 10.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.1 mttm -87.13 -58.94 2.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.147 -0.479 . . . . 10.0 111.974 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -74.48 -56.38 4.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.668 0.271 . . . . 10.0 110.695 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.54 6.15 17.84 Favored Glycine 0 C--O 1.228 -0.247 0 C-N-CA 120.708 -0.758 . . . . 10.0 112.758 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.5 mt -86.32 126.31 65.09 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 110.192 -0.299 . . . . 10.0 110.192 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.43 127.98 26.09 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.962 2.441 . . . . 10.0 112.15 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.58 ' HA ' ' CD ' ' B' ' 41' ' ' GLN . 79.9 Cg_exo -49.31 -37.43 40.26 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.547 2.831 . . . . 10.0 113.832 -179.295 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -62.84 -24.08 67.61 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.927 -0.579 . . . . 10.0 112.225 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -96.0 -5.69 40.59 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.309 0.485 . . . . 10.0 112.309 -178.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.58 ' CD ' ' HA ' ' B' ' 38' ' ' PRO . 0.6 OUTLIER -95.38 139.72 31.28 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.596 -0.441 . . . . 10.0 110.696 -179.461 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.442 ' CZ ' HD22 ' D' ' 494' ' ' LEU . 0.6 OUTLIER -124.49 99.09 6.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.28 -0.418 . . . . 10.0 109.911 179.363 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 16.8 mt -79.9 127.19 31.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.333 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mp -120.3 139.67 46.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.541 -0.754 . . . . 10.0 109.967 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.505 ' HB3' HD21 ' B' ' 50' ' ' LEU . 42.9 t80 -137.48 123.47 20.23 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.356 -0.609 . . . . 10.0 109.356 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.4 17.56 10.39 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.645 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.43 -6.44 52.92 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.829 -0.7 . . . . 10.0 113.512 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -117.41 151.75 36.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 117.207 0.504 . . . . 10.0 111.403 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.33 146.52 32.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.141 -179.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.505 HD21 ' HB3' ' B' ' 45' ' ' PHE . 24.4 mt -95.27 150.77 19.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.326 179.563 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -97.03 137.82 35.51 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 178.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.409 ' OD1' ' HG3' ' B' ' 27' ' ' LYS . 32.4 m-20 -58.67 -37.65 76.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.504 -0.316 . . . . 10.0 111.362 -179.193 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.94 38.3 3.19 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.112 -0.566 . . . . 10.0 113.26 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.426 ' O ' HG12 ' B' ' 23' ' ' ILE . 75.4 mmt-85 -131.67 163.17 28.71 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 179.038 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.455 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 0.0 OUTLIER -104.14 160.3 14.97 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.723 -179.592 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.579 HD12 ' O ' ' B' ' 18' ' ' GLU . 91.4 mt -61.56 -35.1 76.85 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.706 0.288 . . . . 10.0 111.115 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 4.8 m -64.34 -26.83 68.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.463 -0.335 . . . . 10.0 111.497 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.455 ' HB2' ' O ' ' B' ' 55' ' ' THR . 6.2 m-20 -60.17 -36.99 78.83 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.067 0.46 . . . . 10.0 110.919 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -98.72 9.07 44.14 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.681 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 57.95 38.72 26.94 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.586 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 82.0 mt -75.75 110.51 10.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.936 0.398 . . . . 10.0 110.221 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -90.3 179.89 5.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.71 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -77.43 152.2 34.4 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.617 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 63.03 39.59 9.98 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.031 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 19.1 m -107.17 164.42 12.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.705 -0.679 . . . . 10.0 110.415 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.9 m -108.65 133.38 52.83 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.7 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.3 mp -116.11 145.87 42.69 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.194 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.512 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 36.4 m80 -98.56 114.36 26.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.428 -0.351 . . . . 10.0 111.17 -179.428 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.45 HD11 ' HB3' ' B' ' 41' ' ' GLN . 47.4 tp -98.05 90.31 4.84 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.294 -0.632 . . . . 10.0 109.294 178.358 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.432 ' CG1' ' HB ' ' D' ' 490' ' ' THR . 59.8 t -82.61 140.64 16.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.962 -0.563 . . . . 10.0 111.101 -178.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 34.6 mt -88.95 162.77 15.89 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.539 -0.755 . . . . 10.0 109.604 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.558 ' HE ' ' CG ' ' D' ' 491' ' ' ASP . 0.0 OUTLIER -151.0 148.84 28.86 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 121.064 -0.254 . . . . 10.0 110.837 -179.048 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 5.7 mp -131.04 -73.57 0.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.325 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.42 ' HD2' ' O ' ' B' ' 75' ' ' GLY . 8.6 tmm_? -174.38 124.29 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.651 -0.704 . . . . 10.0 109.561 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' GLY . . . . . 0.42 ' O ' ' HD2' ' B' ' 74' ' ' ARG . . . -97.19 -125.74 5.15 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.373 -0.917 . . . . 10.0 111.716 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.409 -1.217 . . . . 10.0 111.857 179.514 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 N--CA 1.478 0.965 0 CA-C-O 120.388 0.137 . . . . 10.0 110.703 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 7.5 t30 60.06 27.91 17.39 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.057 0.456 . . . . 10.0 111.373 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.29 -42.93 92.62 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.069 -0.514 . . . . 10.0 112.245 -178.4 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -66.48 -42.72 87.04 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.11 -0.236 . . . . 10.0 111.569 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 8.0 mt -62.34 -42.88 99.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.649 -0.25 . . . . 10.0 110.386 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -62.12 -46.32 89.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.469 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -59.66 -44.28 93.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 10.0 111.295 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 48.8 mtm -66.02 -40.44 91.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.734 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -67.59 -32.86 73.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.628 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -58.5 -45.85 87.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.584 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 463' ' ' GLN . . . . . 0.577 ' O ' ' HG2' ' D' ' 467' ' ' MET . 0.4 OUTLIER -63.75 -39.24 93.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.701 179.657 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 88.0 mt -67.04 -35.25 74.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.379 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 15.4 tp60 -63.78 -32.31 73.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.175 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -69.69 -37.33 76.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.094 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 467' ' ' MET . . . . . 0.577 ' HG2' ' O ' ' D' ' 463' ' ' GLN . 67.0 mmm -73.84 -44.18 56.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.499 -0.773 . . . . 10.0 111.187 -179.427 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 468' ' ' PHE . . . . . 0.578 ' O ' HG12 ' D' ' 471' ' ' VAL . 37.5 m-85 -116.86 91.56 35.83 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-O 121.008 0.432 . . . . 10.0 110.023 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -68.15 -19.96 44.26 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 123.004 2.469 . . . . 10.0 113.567 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 15.0 pm0 -90.09 -12.36 38.63 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.032 0.382 . . . . 10.0 112.032 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 471' ' ' VAL . . . . . 0.578 HG12 ' O ' ' D' ' 468' ' ' PHE . 2.1 p -83.12 139.9 42.51 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 120.578 0.228 . . . . 10.0 110.654 -179.191 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 472' ' ' PRO . . . . . 0.425 ' HD2' HG22 ' D' ' 471' ' ' VAL . 53.7 Cg_endo -83.18 131.66 5.89 Favored 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 122.111 1.874 . . . . 10.0 112.52 178.543 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -48.51 -42.54 33.35 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.151 -0.931 . . . . 10.0 113.354 -178.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 474' ' ' HIS . . . . . 0.413 ' CE1' ' HB2' ' D' ' 472' ' ' PRO . 36.1 p-80 -64.1 -36.02 82.66 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 112.12 0.415 . . . . 10.0 112.12 -177.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 475' ' ' LEU . . . . . 0.456 ' O ' ' HB3' ' D' ' 478' ' ' GLN . 21.0 mt -75.29 -28.67 59.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.796 0.332 . . . . 10.0 110.457 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 476' ' ' VAL . . . . . 0.407 HG23 ' O ' ' D' ' 472' ' ' PRO . 62.2 t -66.62 -45.4 88.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.445 -0.576 . . . . 10.0 109.445 178.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 55.4 mt -63.0 -27.09 69.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.534 -0.757 . . . . 10.0 110.528 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 478' ' ' GLN . . . . . 0.456 ' HB3' ' O ' ' D' ' 475' ' ' LEU . 1.8 tt0 -61.55 -50.03 74.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.019 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -69.73 -34.97 74.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.343 -0.39 . . . . 10.0 110.412 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.7 -25.05 64.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.413 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -79.28 -15.05 58.58 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.467 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 482' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' D' ' 482' ' ' LEU . 3.9 mm? -110.18 -43.81 3.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.758 0.313 . . . . 10.0 111.738 -178.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 69.5 p -89.71 -41.56 11.84 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.578 0.228 . . . . 10.0 111.312 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? 63.55 24.43 14.02 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.379 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 2.2 t -142.15 122.87 14.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.527 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 31.1 m -62.97 -27.81 43.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.963 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -67.9 -38.09 82.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.612 -0.722 . . . . 10.0 111.008 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 31.6 mt -85.01 -30.42 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.453 -0.339 . . . . 10.0 110.84 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 90.2 m -63.95 -48.47 76.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.53 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 490' ' ' THR . . . . . 0.432 ' HB ' ' CG1' ' B' ' 70' ' ' VAL . 3.2 p -66.13 -32.16 73.44 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.085 0.469 . . . . 10.0 109.9 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 491' ' ' ASP . . . . . 0.558 ' CG ' ' HE ' ' B' ' 72' ' ' ARG . 12.9 t0 -62.18 -54.84 35.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.266 -0.879 . . . . 10.0 109.166 178.123 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 492' ' ' ASN . . . . . 0.431 ' HB3' ' HB3' ' D' ' 497' ' ' ARG . 67.1 m-20 -57.11 -35.3 69.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.501 -1.227 . . . . 10.0 111.726 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 96.6 mt -73.7 -41.47 54.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 10.0 111.112 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 494' ' ' LEU . . . . . 0.442 HD22 ' CZ ' ' B' ' 42' ' ' ARG . 0.2 OUTLIER -66.12 -26.01 67.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.2 -0.455 . . . . 10.0 111.413 -179.56 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -86.29 -77.96 0.3 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.065 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 167.2 29.96 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.201 -0.999 . . . . 10.0 113.148 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 497' ' ' ARG . . . . . 0.431 ' HB3' ' HB3' ' D' ' 492' ' ' ASN . 5.7 tpp180 -74.96 -49.43 20.05 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 3.6 mp -86.38 122.46 38.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.145 -0.934 . . . . 10.0 108.755 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -65.99 109.81 2.69 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.852 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 28.4 m -62.38 158.47 47.92 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 115.375 -0.829 . . . . 10.0 111.053 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -61.85 97.74 0.16 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.832 2.354 . . . . 10.0 112.547 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -93.74 131.65 31.65 Favored Pre-proline 0 N--CA 1.451 -0.411 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.849 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -70.47 89.26 0.6 Allowed 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.504 2.136 . . . . 10.0 112.543 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 6.6 t . . . . . 0 C--O 1.251 1.177 0 CA-C-O 118.491 -0.766 . . . . 10.0 110.531 179.586 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.485 1.308 0 N-CA-C 110.26 -0.274 . . . . 10.0 110.26 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 -104.33 136.55 43.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.785 0.326 . . . . 10.0 111.407 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.2 pt -130.04 168.56 22.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.503 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.435 ' O ' ' HA ' ' A' ' 66' ' ' THR . 45.9 m-85 -126.83 128.83 47.16 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.524 -0.307 . . . . 10.0 110.428 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.0 t -108.84 120.85 60.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -103.95 139.51 39.0 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.155 0.502 . . . . 10.0 111.317 -178.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.9 p -104.9 168.54 8.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.498 -0.773 . . . . 10.0 110.592 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.7 mt -67.24 -25.64 66.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.426 -0.352 . . . . 10.0 111.237 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.33 -15.04 62.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.079 -0.509 . . . . 10.0 111.822 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.51 21.5 21.75 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.582 -0.818 . . . . 10.0 112.078 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.0 tttp -105.14 136.45 44.6 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.829 0.347 . . . . 10.0 110.417 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.6 m -109.18 123.92 50.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.368 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.0 mt -104.85 132.24 52.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.521 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -89.01 133.97 34.15 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.958 -0.386 . . . . 10.0 109.958 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.4 mt -139.27 135.62 34.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.079 0.466 . . . . 10.0 111.655 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -93.12 116.92 29.49 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.39 -0.823 . . . . 10.0 108.893 178.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.6 m -136.16 173.26 14.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.142 -178.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.557 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 6.8 mm-40 -131.98 161.06 64.93 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.638 -0.71 . . . . 10.0 109.294 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.87 -27.91 74.59 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.079 1.853 . . . . 10.0 112.003 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.81 -3.2 56.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.55 -0.75 . . . . 10.0 111.452 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.557 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -70.5 128.84 37.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.92 0.39 . . . . 10.0 110.332 -179.872 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.51 148.43 26.53 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.057 -0.519 . . . . 10.0 109.744 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.1 mm -56.11 -39.02 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.737 0.303 . . . . 10.0 110.701 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -60.41 -35.23 75.28 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.681 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -71.1 -37.4 72.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.83 0.348 . . . . 10.0 110.065 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.8 t -62.14 -40.37 87.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.49 -0.559 . . . . 10.0 109.49 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -60.82 -40.63 93.46 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.686 -0.688 . . . . 10.0 109.892 178.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.96 -39.85 90.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.636 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -63.1 -36.61 84.18 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.018 0.437 . . . . 10.0 110.155 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 97.4 mt -67.95 -38.48 80.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.989 -0.55 . . . . 10.0 109.896 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -71.16 -31.12 67.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.912 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.89 -43.82 82.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.069 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -82.61 -59.13 2.62 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.442 0.534 . . . . 10.0 112.442 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -81.14 -50.83 9.13 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.387 0.514 . . . . 10.0 112.387 -178.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.32 21.13 8.17 Favored Glycine 0 C--N 1.322 -0.219 0 C-N-CA 120.378 -0.915 . . . . 10.0 112.636 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.9 mt -87.81 128.75 53.08 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 110.114 -0.328 . . . . 10.0 110.114 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -55.07 132.06 50.08 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.659 2.239 . . . . 10.0 111.687 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -60.67 -24.46 78.63 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.696 2.264 . . . . 10.0 112.774 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -66.63 -33.89 76.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.073 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -95.12 6.33 49.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.037 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -94.19 115.23 27.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.046 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -120.83 98.16 5.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.195 0.521 . . . . 10.0 109.625 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.441 ' HB3' HD12 ' A' ' 50' ' ' LEU . 58.0 mt -84.52 132.04 34.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.648 -0.706 . . . . 10.0 111.732 -178.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 74.3 mt -129.03 137.26 57.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.527 -0.76 . . . . 10.0 109.436 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.522 ' HB3' HD21 ' A' ' 50' ' ' LEU . 74.1 t80 -137.33 125.99 23.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.517 0.198 . . . . 10.0 110.809 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.96 26.96 15.65 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.911 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.422 ' HA2' ' CZ ' ' D' ' 473' ' ' TYR . . . 83.0 17.35 67.59 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.665 -0.779 . . . . 10.0 112.847 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -127.44 133.47 49.93 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.907 -0.405 . . . . 10.0 109.907 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -74.92 132.54 41.52 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.876 0.37 . . . . 10.0 110.234 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.522 HD21 ' HB3' ' A' ' 45' ' ' PHE . 41.5 mt -85.94 123.67 31.54 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.088 -179.193 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -86.59 138.52 31.63 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.035 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.66 -33.13 69.75 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.71 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.89 41.3 2.99 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.012 -0.613 . . . . 10.0 112.372 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 77.4 mmt-85 -140.58 160.76 39.32 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.633 -0.506 . . . . 10.0 109.633 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.537 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -104.72 171.49 7.29 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.521 -0.309 . . . . 10.0 110.388 179.478 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.4 HD12 ' O ' ' A' ' 18' ' ' GLU . 62.7 mt -64.98 -38.12 89.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.735 0.302 . . . . 10.0 111.417 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.96 -20.1 66.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.506 -0.315 . . . . 10.0 111.533 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.537 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.9 m-20 -63.03 -36.36 83.32 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.935 0.398 . . . . 10.0 111.116 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -107.39 19.12 20.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.071 -178.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 60.06 31.75 20.73 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.674 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.9 mt -75.97 115.64 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.018 0.437 . . . . 10.0 110.124 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -115.06 -161.58 0.78 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.521 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.435 ' HG2' ' H ' ' A' ' 63' ' ' LYS . 31.9 pttt -72.23 147.82 46.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.44 -0.345 . . . . 10.0 111.256 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 70.64 13.51 7.28 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.314 0.646 . . . . 10.0 111.798 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.4 m -77.07 133.31 39.1 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.807 0.337 . . . . 10.0 110.277 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 19.6 m -100.71 114.23 27.79 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.3 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.4 mp -95.6 136.37 36.09 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.587 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -99.74 130.4 45.95 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.968 0.413 . . . . 10.0 110.749 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.8 tp -108.19 102.67 11.8 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.578 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.4 t -89.9 121.58 40.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.993 -0.549 . . . . 10.0 109.678 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 24.5 mt -82.83 119.79 24.82 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.22 -0.446 . . . . 10.0 110.372 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.58 91.89 4.02 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.707 -0.479 . . . . 10.0 109.707 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 72.5 mt -75.96 140.64 42.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.545 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 64.1 ttt-85 -153.8 112.47 3.66 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.664 -0.698 . . . . 10.0 109.466 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 102.41 136.36 9.14 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 111.148 -0.781 . . . . 10.0 111.148 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.805 0 N-CA-C 111.035 -0.826 . . . . 10.0 111.035 -179.206 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.76 ' SD ' ' HA ' ' B' ' 63' ' ' LYS . 14.0 ptt? . . . . . 0 N--CA 1.478 0.962 0 N-CA-C 110.159 -0.311 . . . . 10.0 110.159 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.492 ' O ' ' HA ' ' B' ' 64' ' ' GLU . 71.7 mm-40 -106.55 138.76 42.14 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.062 -0.347 . . . . 10.0 110.062 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 25.4 pt -117.91 153.98 19.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 110.198 -0.297 . . . . 10.0 110.198 178.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -107.33 117.48 34.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.91 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 16.9 t -119.17 109.8 27.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.649 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -88.68 140.09 29.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.974 0.416 . . . . 10.0 110.953 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.56 168.7 8.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.559 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.424 HD23 ' HB3' ' D' ' 463' ' ' GLN . 25.8 mt -67.93 -5.85 19.07 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 111.942 0.349 . . . . 10.0 111.942 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.31 -9.38 50.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.898 0.38 . . . . 10.0 110.62 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.73 -9.06 68.62 Favored Glycine 0 C--N 1.331 0.26 0 CA-C-N 115.956 -0.565 . . . . 10.0 111.869 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -78.54 139.93 38.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.5 -0.35 . . . . 10.0 110.874 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -105.33 117.23 33.48 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.708 -0.479 . . . . 10.0 109.708 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 10.4 mt -93.87 136.36 25.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.5 -0.318 . . . . 10.0 110.685 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 5.9 m -106.45 126.59 52.44 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.388 -0.597 . . . . 10.0 109.388 178.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 48.7 mt -123.03 142.15 51.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.553 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -94.38 109.91 21.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.373 -0.83 . . . . 10.0 109.222 178.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 19.2 m -141.01 176.59 4.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.315 0.579 . . . . 10.0 111.862 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -131.72 156.98 79.42 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 108.133 -1.062 . . . . 10.0 108.133 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.43 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 47.6 Cg_exo -56.15 -34.86 94.21 Favored 'Trans proline' 0 CA--C 1.531 0.344 0 C-N-CA 122.25 1.967 . . . . 10.0 112.713 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.53 0.13 27.36 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.128 0.418 . . . . 10.0 112.128 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -74.07 141.87 45.68 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.953 -0.388 . . . . 10.0 109.953 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.65 144.51 25.68 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.609 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 51.3 mm -54.48 -36.37 34.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-O 121.078 0.466 . . . . 10.0 110.445 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -57.5 -43.83 84.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.619 -0.718 . . . . 10.0 110.592 178.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -70.99 -34.52 71.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.544 -0.753 . . . . 10.0 110.664 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 96.0 t -62.49 -40.04 86.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.555 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -63.44 -30.48 71.6 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.994 0.426 . . . . 10.0 110.624 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.15 -35.83 76.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.136 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -69.44 -34.2 74.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.177 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 84.8 mt -71.52 -40.46 71.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.858 -0.423 . . . . 10.0 109.858 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.445 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 65.4 tt0 -66.64 -24.98 66.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.222 0.534 . . . . 10.0 110.224 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -77.95 -21.66 50.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.84 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -103.32 -59.52 1.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.633 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -80.69 -27.22 37.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.536 -178.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.445 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 83.91 9.29 82.9 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.597 -0.811 . . . . 10.0 112.92 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 66.5 mt -82.84 126.8 72.06 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 110.625 -0.139 . . . . 10.0 110.625 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.457 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 30.3 Cg_exo -58.89 147.83 87.32 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.509 2.14 . . . . 10.0 112.096 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 23.1 Cg_exo -63.14 -15.36 47.52 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.596 2.197 . . . . 10.0 112.222 179.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.45 -32.43 62.61 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.064 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -94.64 -1.98 52.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.124 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -90.06 105.99 18.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.604 -0.725 . . . . 10.0 112.005 -178.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 -113.63 101.97 9.83 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.642 -0.874 . . . . 10.0 108.642 177.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 23.9 mt -87.29 130.91 34.42 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.142 -177.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.479 ' HA ' ' O ' ' B' ' 48' ' ' LYS . 1.4 mp -123.38 137.77 55.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.473 -0.785 . . . . 10.0 110.908 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.464 ' HB3' HD21 ' B' ' 50' ' ' LEU . 69.5 t80 -133.54 121.7 22.51 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.721 -0.844 . . . . 10.0 108.721 178.567 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.25 18.23 11.16 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.605 0.566 . . . . 10.0 111.251 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.44 10.11 57.22 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 121.093 -0.575 . . . . 10.0 113.509 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.479 ' O ' ' HA ' ' B' ' 44' ' ' ILE . 8.3 mtmt -126.92 161.02 29.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 117.045 0.423 . . . . 10.0 110.769 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -85.45 152.44 23.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.825 0.345 . . . . 10.0 111.296 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.464 HD21 ' HB3' ' B' ' 45' ' ' PHE . 48.2 mt -102.68 152.3 21.37 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.235 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.408 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 0.8 OUTLIER -95.63 147.95 23.04 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.901 -0.407 . . . . 10.0 109.901 179.632 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.91 -53.0 62.64 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.844 0.354 . . . . 10.0 111.387 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.53 52.56 4.57 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.982 -0.627 . . . . 10.0 113.118 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.408 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 18.6 mmt180 -140.49 150.75 44.15 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.107 -0.331 . . . . 10.0 110.107 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 43.6 p -102.72 168.25 9.37 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.172 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.43 ' HB2' ' HA ' ' B' ' 19' ' ' PRO . 68.1 mt -66.67 -31.7 72.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.059 0.457 . . . . 10.0 110.517 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -24.88 65.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.051 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -63.91 -34.05 77.08 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.214 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -96.64 7.3 46.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.09 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 65.86 34.86 6.99 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.062 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 95.9 mt -78.41 135.43 26.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.408 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -101.59 -170.2 1.79 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.029 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.76 ' HA ' ' SD ' ' B' ' 1' ' ' MET . 55.2 pttt -75.69 146.75 39.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.13 -0.487 . . . . 10.0 111.65 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.492 ' HA ' ' O ' ' B' ' 2' ' ' GLN . 30.2 mt-10 54.31 43.79 29.96 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.654 -0.703 . . . . 10.0 112.106 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 55.8 m -88.54 162.57 16.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.039 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.1 m -106.95 133.24 51.91 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.623 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.5 mp -122.57 153.64 38.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.119 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.586 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 35.4 m170 -101.84 132.05 47.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.601 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 53.4 tp -110.91 95.62 5.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.126 0.489 . . . . 10.0 110.311 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 54.0 t -81.35 121.6 35.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.789 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 62.4 mt -86.29 126.42 34.3 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.51 143.04 50.91 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.898 0.38 . . . . 10.0 110.95 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.536 HD11 ' HB2' ' D' ' 487' ' ' GLU . 3.6 mt -110.83 117.5 33.59 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.497 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' B' ' 74' ' ' ARG . 5.4 mmt180 -132.04 99.57 4.77 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 178.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.27 21.61 51.28 Favored Glycine 0 N--CA 1.443 -0.878 0 N-CA-C 110.692 -0.963 . . . . 10.0 110.692 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.222 0 CA-C-O 118.621 -1.1 . . . . 10.0 111.545 -179.617 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.478 0.948 0 CA-C-O 120.482 0.182 . . . . 10.0 111.184 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 68.3 16.71 9.3 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 122.966 0.506 . . . . 10.0 111.641 179.235 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 4.9 m -56.03 -54.37 45.79 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.797 0.665 . . . . 10.0 112.797 -178.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -70.35 -38.53 74.83 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.753 0.279 . . . . 10.0 111.753 -178.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 95.1 mt -62.42 -43.91 97.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.689 0.281 . . . . 10.0 111.009 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -62.87 -43.76 97.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.809 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -59.99 -44.07 94.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.373 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 71.0 mtm -68.54 -40.43 80.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.099 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -68.07 -29.36 68.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.791 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -58.21 -44.92 88.39 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.76 0.281 . . . . 10.0 111.76 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 463' ' ' GLN . . . . . 0.424 ' HB3' HD23 ' B' ' 8' ' ' LEU . 0.1 OUTLIER -57.22 -32.95 67.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.143 0.497 . . . . 10.0 111.409 -179.284 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 62.2 mt -75.07 -37.22 40.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.055 -0.521 . . . . 10.0 110.016 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 -64.12 -32.13 73.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.292 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -68.11 -31.17 70.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.334 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 467' ' ' MET . . . . . 0.586 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 59.9 mtm -88.88 -24.68 22.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.901 0.381 . . . . 10.0 111.427 -179.075 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 468' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -129.15 85.5 59.53 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-O 121.163 0.506 . . . . 10.0 110.346 178.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -79.03 32.38 0.47 Allowed 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 122.66 2.24 . . . . 10.0 113.352 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.05 -2.27 2.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.755 -0.202 . . . . 10.0 111.53 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 471' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.45 130.65 22.71 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 110.458 -0.201 . . . . 10.0 110.458 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 472' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -57.66 133.57 57.35 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 122.778 2.319 . . . . 10.0 112.776 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 473' ' ' TYR . . . . . 0.422 ' CZ ' ' HA2' ' A' ' 47' ' ' GLY . 3.1 t80 -54.62 -42.86 71.69 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.664 -0.698 . . . . 10.0 112.185 -179.122 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 54.4 p-80 -65.69 -23.67 66.83 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.842 0.312 . . . . 10.0 111.842 -178.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 475' ' ' LEU . . . . . 0.43 ' O ' ' HB3' ' D' ' 478' ' ' GLN . 15.6 mt -78.27 -30.88 48.79 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.739 -0.467 . . . . 10.0 109.739 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 23.6 t -73.06 -40.58 58.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.725 -0.671 . . . . 10.0 109.392 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 52.0 mt -62.65 -24.76 67.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.428 179.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 478' ' ' GLN . . . . . 0.43 ' HB3' ' O ' ' D' ' 475' ' ' LEU . 32.7 tt0 -65.19 -56.7 11.35 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.582 -0.735 . . . . 10.0 110.716 179.688 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 479' ' ' ASP . . . . . 0.654 ' HB3' HG23 ' D' ' 489' ' ' THR . 14.9 t70 -64.91 -30.42 71.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.29 -0.413 . . . . 10.0 110.72 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 480' ' ' LEU . . . . . 0.409 ' O ' ' HA ' ' D' ' 484' ' ' ARG . 0.4 OUTLIER -61.09 -23.41 65.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.846 179.314 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -94.66 -3.59 49.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.049 0.452 . . . . 10.0 110.587 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 482' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' D' ' 482' ' ' LEU . 3.0 mm? -104.6 -57.87 1.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.178 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 483' ' ' THR . . . . . 0.406 ' HB ' HD12 ' D' ' 488' ' ' ILE . 80.3 p -87.57 -35.68 17.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.752 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 484' ' ' ARG . . . . . 0.409 ' HA ' ' O ' ' D' ' 480' ' ' LEU . 40.3 mtt180 64.61 17.55 10.95 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.581 -0.736 . . . . 10.0 111.166 179.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 1.6 m -138.21 122.15 17.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.356 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 16.2 m -60.85 -27.71 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.639 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 487' ' ' GLU . . . . . 0.536 ' HB2' HD11 ' B' ' 73' ' ' LEU . 2.0 mp0 -69.18 -12.8 61.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.104 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 488' ' ' ILE . . . . . 0.406 HD12 ' HB ' ' D' ' 483' ' ' THR . 34.6 mt -107.2 -46.23 7.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 489' ' ' THR . . . . . 0.654 HG23 ' HB3' ' D' ' 479' ' ' ASP . 21.8 m -54.48 -49.42 70.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.943 -0.571 . . . . 10.0 112.368 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 490' ' ' THR . . . . . 0.497 HG21 ' HE3' ' D' ' 467' ' ' MET . 3.1 m -60.33 -44.39 95.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.533 -179.101 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 491' ' ' ASP . . . . . 0.5 ' O ' ' HG2' ' D' ' 495' ' ' GLU . 28.7 t70 -68.29 -42.21 79.83 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 179.525 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 492' ' ' ASN . . . . . 0.422 ' HB3' ' HB3' ' D' ' 497' ' ' ARG . 17.8 m-20 -51.27 -38.8 54.75 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.415 -0.811 . . . . 10.0 111.544 178.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 92.0 mt -65.51 -43.41 94.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.821 0.343 . . . . 10.0 110.543 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 12.2 mt -66.96 -25.82 66.52 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 495' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' D' ' 491' ' ' ASP . 10.5 mm-40 -80.75 -47.48 13.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.339 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 130.45 13.71 2.05 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.477 -0.868 . . . . 10.0 112.39 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 497' ' ' ARG . . . . . 0.422 ' HB3' ' HB3' ' D' ' 492' ' ' ASN . 18.4 tpp180 -65.82 -41.98 91.16 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.756 -0.831 . . . . 10.0 108.756 178.606 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 4.4 mp -99.91 118.83 47.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.21 -1.033 . . . . 10.0 108.21 178.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -66.7 136.02 54.91 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.096 0.474 . . . . 10.0 111.301 -179.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 29.8 m -81.87 164.6 47.97 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.489 -0.778 . . . . 10.0 109.991 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -65.96 79.43 0.28 Allowed 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.484 2.123 . . . . 10.0 112.101 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -70.42 119.64 73.63 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.495 -0.775 . . . . 10.0 110.569 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -67.26 107.49 1.38 Allowed 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.464 2.11 . . . . 10.0 111.439 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.413 -0.803 . . . . 10.0 110.056 -179.572 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.496 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 24.1 ptt? . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 110.193 -0.299 . . . . 10.0 110.193 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -95.64 143.21 27.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.743 0.306 . . . . 10.0 111.307 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.5 pt -128.37 154.08 38.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.796 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -107.18 106.32 16.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.573 -0.285 . . . . 10.0 111.037 -179.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.5 t -92.78 115.6 31.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.874 -0.417 . . . . 10.0 109.874 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.6 mttt -102.61 133.36 47.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.35 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.3 p -104.78 172.42 6.8 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.024 179.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.8 mt -58.53 -38.76 78.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.477 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.09 -10.49 59.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.775 -0.648 . . . . 10.0 112.218 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.8 0.09 62.49 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.468 -0.872 . . . . 10.0 112.73 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -69.75 117.61 11.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.878 0.37 . . . . 10.0 110.021 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -97.93 118.82 35.36 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.426 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.0 mt -109.1 126.29 66.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.69 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.23 113.5 25.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.595 179.282 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.5 mt -114.75 147.33 39.87 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.54 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -101.14 115.63 30.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.219 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.496 ' O ' ' HG2' ' A' ' 1' ' ' MET . 15.4 m -139.74 175.6 6.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.784 -0.644 . . . . 10.0 109.832 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.531 ' O ' HD12 ' A' ' 56' ' ' LEU . 8.5 mm-40 -127.5 156.07 75.8 Favored Pre-proline 0 C--N 1.32 -0.716 0 N-CA-C 109.281 -0.637 . . . . 10.0 109.281 179.223 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -51.51 -41.09 61.98 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.364 2.043 . . . . 10.0 112.93 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.62 7.43 4.57 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.737 0.644 . . . . 10.0 112.737 -178.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -80.33 158.82 25.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.914 0.388 . . . . 10.0 110.215 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 m -98.93 145.13 27.34 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.566 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.462 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 46.2 mm -55.92 -37.52 48.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.792 0.33 . . . . 10.0 110.699 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -57.8 -42.22 83.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.697 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.486 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 61.8 t30 -64.0 -36.48 84.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.115 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.7 t -62.92 -42.0 94.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.417 -0.586 . . . . 10.0 109.417 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 5.3 mmmm -61.41 -39.83 92.18 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.589 -0.732 . . . . 10.0 109.622 179.008 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.6 -39.05 91.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.529 -0.76 . . . . 10.0 110.768 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 58.0 mttt -65.0 -37.14 86.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.095 0.474 . . . . 10.0 110.012 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 95.8 mt -68.95 -35.35 68.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.411 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 64.8 tt0 -71.65 -29.36 64.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.99 178.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -73.16 -35.52 66.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.454 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -84.65 -62.98 1.42 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.82 -0.627 . . . . 10.0 111.725 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -77.84 -57.72 3.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.003 0.43 . . . . 10.0 111.247 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 116.98 11.45 9.1 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.677 -0.773 . . . . 10.0 112.351 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.9 mt -85.94 125.6 68.1 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.459 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 46.9 Cg_exo -55.5 142.72 80.39 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.521 2.147 . . . . 10.0 112.174 179.515 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 44.4 Cg_exo -56.94 -28.04 75.93 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.008 2.472 . . . . 10.0 112.958 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.32 -22.35 64.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.452 ' HA ' ' HB3' ' A' ' 72' ' ' ARG . 75.6 mt-30 -104.11 6.46 35.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.345 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.404 ' HB2' ' HE3' ' A' ' 27' ' ' LYS . 76.7 mt-30 -99.56 115.93 30.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.862 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -110.14 96.01 5.95 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.992 -0.373 . . . . 10.0 109.992 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.532 ' HB3' HD12 ' A' ' 50' ' ' LEU . 18.4 mt -90.95 124.55 35.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.227 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 72.6 mt -123.6 135.49 63.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.367 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -127.36 112.21 14.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.513 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.84 28.35 15.88 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.901 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.43 -18.24 57.3 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.84 -0.695 . . . . 10.0 112.826 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -94.63 125.28 39.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 122.809 -0.23 . . . . 10.0 110.474 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -73.51 134.46 43.86 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.091 -0.337 . . . . 10.0 110.091 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.532 HD12 ' HB3' ' A' ' 43' ' ' LEU . 56.7 mt -82.19 119.66 24.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.513 -179.149 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.421 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 59.1 mt-10 -84.21 142.15 30.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.86 178.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -65.16 -18.53 65.38 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.48 0.548 . . . . 10.0 112.48 -178.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.14 11.04 72.74 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.534 -0.841 . . . . 10.0 112.981 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.421 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 31.7 mmt180 -114.69 165.24 13.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.988 0.423 . . . . 10.0 110.677 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.5 p -104.05 175.67 5.41 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.678 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 18' ' ' GLU . 82.3 mt -72.55 -33.62 66.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.036 0.446 . . . . 10.0 110.256 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -23.13 63.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.827 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -62.25 -38.15 88.18 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.452 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -98.26 6.17 47.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.406 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 61.87 41.94 10.96 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.624 -0.716 . . . . 10.0 111.566 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 84.1 mt -83.47 122.38 37.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.561 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -104.03 -168.0 1.44 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.347 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.0 pttp -75.71 150.2 37.91 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.504 -0.316 . . . . 10.0 110.466 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 65.11 28.31 12.3 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.901 -0.591 . . . . 10.0 111.502 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.0 m -85.49 150.47 24.66 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.187 -0.301 . . . . 10.0 110.187 179.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.2 m -99.87 122.98 43.64 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.103 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -112.35 137.85 49.91 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.804 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.57 123.17 44.41 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.558 -0.292 . . . . 10.0 110.727 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.6 tp -112.82 107.01 15.47 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.994 0.426 . . . . 10.0 110.581 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.4 t -96.75 144.29 10.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.767 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 94.6 mt -87.12 138.05 31.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.06 0.457 . . . . 10.0 111.465 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.452 ' HB3' ' HA ' ' A' ' 40' ' ' GLN . 47.3 ttt180 -102.38 95.58 6.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.974 179.378 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.9 mt -83.72 164.5 19.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.22 -0.445 . . . . 10.0 111.25 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -155.24 158.16 38.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.751 -0.659 . . . . 10.0 109.585 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 138.23 -52.05 0.75 Allowed Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.624 -0.798 . . . . 10.0 112.632 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.709 -1.051 . . . . 10.0 112.019 -179.494 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.482 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 21.5 ptt? . . . . . 0 N--CA 1.482 1.161 0 N-CA-C 110.238 -0.282 . . . . 10.0 110.238 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -108.89 142.07 40.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.635 0.255 . . . . 10.0 110.883 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 21.4 pt -130.07 156.79 42.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.192 -0.67 . . . . 10.0 109.192 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -114.98 111.81 21.72 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.904 0.383 . . . . 10.0 110.905 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 46.0 t -93.4 112.83 27.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.916 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -91.92 123.39 35.25 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.035 0.445 . . . . 10.0 110.537 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.48 155.93 16.53 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.678 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 11.1 mt -58.5 -19.65 39.1 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.523 0.564 . . . . 10.0 112.523 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.11 -7.24 59.66 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.043 0.386 . . . . 10.0 112.043 -179.37 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.72 21.37 31.41 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.579 -0.819 . . . . 10.0 111.348 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -102.41 137.11 41.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.341 -0.429 . . . . 10.0 110.057 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -114.58 113.54 24.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.916 0.389 . . . . 10.0 110.608 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 12.2 mt -102.68 118.88 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.348 -179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -89.58 113.52 24.96 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.946 -0.39 . . . . 10.0 109.946 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.7 mt -113.34 146.48 39.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.792 0.33 . . . . 10.0 111.575 -179.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -93.43 116.65 29.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.685 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.482 ' O ' ' HG2' ' B' ' 1' ' ' MET . 15.7 m -136.45 177.1 6.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.516 -179.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.429 ' O ' HD12 ' B' ' 56' ' ' LEU . 7.0 mm-40 -141.42 160.46 56.96 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -48.6 -39.86 37.55 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 123.209 2.606 . . . . 10.0 114.736 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 14.8 m -84.84 6.1 26.05 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.717 0.636 . . . . 10.0 112.717 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -79.11 128.25 33.04 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.865 -0.42 . . . . 10.0 109.865 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.86 149.87 43.15 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.867 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.408 HG12 ' O ' ' B' ' 54' ' ' ARG . 46.9 mm -58.07 -36.49 57.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.185 0.517 . . . . 10.0 109.802 179.058 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -58.64 -36.87 74.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.353 -0.839 . . . . 10.0 110.811 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -67.18 -33.66 75.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 10.0 109.981 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 24.7 t -66.63 -39.83 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 109.368 -0.605 . . . . 10.0 109.368 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.456 ' HE3' ' O ' ' B' ' 41' ' ' GLN . 2.0 mmmm -61.32 -42.14 98.19 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.628 -0.714 . . . . 10.0 109.509 179.092 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.04 -38.49 91.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.464 -0.789 . . . . 10.0 110.833 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -64.87 -37.41 87.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.49 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 80.4 mt -70.32 -39.85 77.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.61 -0.515 . . . . 10.0 109.61 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -65.32 -38.21 89.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.662 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -61.8 -36.52 81.36 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.596 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -88.49 -59.45 2.23 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.954 0.724 . . . . 10.0 112.954 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -77.41 -28.93 52.85 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.308 0.855 . . . . 10.0 113.308 -176.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.17 -2.45 78.85 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.592 -0.813 . . . . 10.0 112.513 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 56.0 mt -77.2 121.68 84.98 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 110.274 -0.269 . . . . 10.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.486 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 45.6 Cg_exo -55.93 140.72 86.15 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.547 2.164 . . . . 10.0 111.95 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 35.0 Cg_exo -60.95 -18.9 60.03 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.213 2.609 . . . . 10.0 113.135 -179.411 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -63.34 -40.81 98.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.264 -0.426 . . . . 10.0 111.99 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.428 ' OE1' ' HB2' ' B' ' 37' ' ' PRO . 21.0 mp0 -88.95 1.03 56.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.727 0.299 . . . . 10.0 111.605 -179.117 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.456 ' O ' ' HE3' ' B' ' 27' ' ' LYS . 78.4 mt-30 -87.55 110.3 20.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.455 -0.338 . . . . 10.0 111.471 -179.253 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.4 ' NE ' HD22 ' D' ' 494' ' ' LEU . 35.4 ttt180 -112.3 101.98 10.16 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.725 -0.843 . . . . 10.0 108.725 178.125 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 40.4 mt -78.75 121.38 24.67 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.16 0.505 . . . . 10.0 111.49 -178.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -111.35 152.11 13.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.313 -0.858 . . . . 10.0 109.768 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -140.59 89.78 2.3 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.828 -0.349 . . . . 10.0 111.437 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.29 41.92 25.0 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 113.25 0.833 . . . . 10.0 113.25 178.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.36 -21.45 19.53 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.091 -1.052 . . . . 10.0 112.918 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -103.12 179.63 4.22 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.51 0.195 . . . . 10.0 110.877 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -132.51 141.65 48.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.177 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 22.8 mt -92.22 146.32 23.8 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.005 -0.369 . . . . 10.0 110.005 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.487 ' HB2' ' HG2' ' B' ' 54' ' ' ARG . 35.1 mt-10 -109.61 145.29 36.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.826 0.346 . . . . 10.0 110.972 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.01 -28.02 69.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.754 -0.657 . . . . 10.0 112.532 -178.601 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.39 17.03 50.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.793 -0.718 . . . . 10.0 113.431 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.487 ' HG2' ' HB2' ' B' ' 51' ' ' GLU . 37.3 mmm-85 -121.57 166.26 14.48 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 122.453 -0.439 . . . . 10.0 110.2 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.517 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 76.7 p -110.95 174.75 5.71 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.165 -0.309 . . . . 10.0 110.165 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.429 HD12 ' O ' ' B' ' 18' ' ' GLU . 70.2 mt -69.15 -26.87 65.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.848 0.356 . . . . 10.0 110.668 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.1 m -73.34 -23.59 60.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.276 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.517 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.1 m-20 -58.06 -50.15 74.44 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.257 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -92.64 7.33 43.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.53 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 49.5 t30 57.82 55.83 5.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.293 -0.867 . . . . 10.0 111.22 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 87.8 mt -90.03 124.62 42.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.319 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -100.58 -168.75 1.62 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.951 0.405 . . . . 10.0 111.286 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -78.76 151.52 32.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.02 -0.537 . . . . 10.0 111.025 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 66.94 19.85 10.56 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.685 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 28.3 m -82.17 142.47 32.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.618 -0.265 . . . . 10.0 110.295 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.5 m -97.94 121.99 40.51 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.411 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mp -106.63 149.2 27.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.225 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -103.57 128.25 50.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.339 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 68.4 tp -110.22 104.6 13.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.723 0.297 . . . . 10.0 110.941 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 93.3 t -95.73 134.96 31.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.414 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 75.2 mt -98.56 117.57 33.3 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.097 -0.705 . . . . 10.0 109.097 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.599 ' HB2' ' OD1' ' D' ' 491' ' ' ASP . 1.6 ptm180 -105.79 164.3 12.04 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.709 0.29 . . . . 10.0 110.859 -179.02 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.438 HD11 HG12 ' D' ' 488' ' ' ILE . 0.3 OUTLIER -149.43 151.14 33.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.46 -0.336 . . . . 10.0 111.188 -179.517 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 21.3 mtp-105 68.76 -70.47 0.13 Allowed 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.918 0.761 . . . . 10.0 112.194 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 122.66 51.59 0.22 Allowed Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.866 -0.683 . . . . 10.0 112.289 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.541 -1.144 . . . . 10.0 112.437 179.892 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 4.6 p . . . . . 0 N--CA 1.472 0.641 0 N-CA-C 110.44 -0.207 . . . . 10.0 110.44 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 62.04 27.09 16.37 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.218 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.23 -49.03 73.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.295 -179.411 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -73.38 -38.95 65.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.485 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 60.5 mt -62.56 -39.18 92.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.679 -0.691 . . . . 10.0 110.706 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -65.39 -45.68 83.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.82 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -59.81 -43.94 94.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.959 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 39.0 mtm -64.77 -43.81 92.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.904 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.02 -38.4 90.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.335 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -60.04 -36.8 78.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.018 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 11.0 tp60 -66.25 -34.56 78.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.859 0.361 . . . . 10.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 464' ' ' ILE . . . . . 0.485 ' HA ' ' HE2' ' D' ' 467' ' ' MET . 72.7 mt -71.2 -32.1 46.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.079 0.466 . . . . 10.0 110.258 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -62.11 -31.34 71.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.41 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -70.16 -28.31 65.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.839 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 467' ' ' MET . . . . . 0.485 ' HE2' ' HA ' ' D' ' 464' ' ' ILE . 58.5 mtm -85.28 -44.84 12.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.611 -178.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 468' ' ' PHE . . . . . 0.573 ' O ' HG12 ' D' ' 471' ' ' VAL . 1.4 m-30 -114.94 86.65 13.77 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 116.33 -0.395 . . . . 10.0 110.185 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 469' ' ' PRO . . . . . 0.482 ' HD3' ' O ' ' D' ' 467' ' ' MET . 8.6 Cg_exo -71.56 9.81 0.9 Allowed 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 123.037 2.492 . . . . 10.0 113.29 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -119.4 6.59 11.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.537 -0.301 . . . . 10.0 111.608 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 471' ' ' VAL . . . . . 0.573 HG12 ' O ' ' D' ' 468' ' ' PHE . 8.0 p -102.5 134.38 19.97 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 120.637 0.256 . . . . 10.0 111.111 -179.258 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 472' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' D' ' 471' ' ' VAL . 23.2 Cg_exo -65.99 126.5 15.97 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.518 2.145 . . . . 10.0 111.682 178.211 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -53.45 -42.81 67.54 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.809 0.67 . . . . 10.0 112.809 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -63.67 -29.56 70.78 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.636 0.236 . . . . 10.0 111.636 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 475' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' D' ' 475' ' ' LEU . 16.1 mt -74.34 -33.54 63.17 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.418 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 21.3 t -67.59 -41.44 85.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.338 -0.616 . . . . 10.0 109.338 178.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 477' ' ' LEU . . . . . 0.496 ' O ' ' HG3' ' D' ' 481' ' ' GLN . 26.6 mt -65.26 -26.56 68.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.572 -0.74 . . . . 10.0 110.768 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -63.16 -52.47 62.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 479' ' ' ASP . . . . . 0.605 ' HB3' HG23 ' D' ' 489' ' ' THR . 12.6 t70 -67.12 -34.77 78.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.405 -0.362 . . . . 10.0 110.393 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 480' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' D' ' 480' ' ' LEU . 0.4 OUTLIER -58.5 -26.62 63.65 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.219 179.68 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 481' ' ' GLN . . . . . 0.496 ' HG3' ' O ' ' D' ' 477' ' ' LEU . 65.1 mt-30 -81.58 -23.02 37.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.174 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 482' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' D' ' 482' ' ' LEU . 3.5 mm? -93.56 -54.89 3.47 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.233 0.457 . . . . 10.0 112.233 -178.152 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 70.3 p -87.61 -39.43 15.07 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.263 0.468 . . . . 10.0 112.263 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 64.68 30.35 12.56 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.269 0.557 . . . . 10.0 110.38 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 11.3 m -146.95 119.76 8.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.216 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 486' ' ' VAL . . . . . 0.414 HG12 HD11 ' D' ' 464' ' ' ILE . 2.7 m -57.07 -34.08 44.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 112.197 0.443 . . . . 10.0 112.197 -179.222 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -60.93 -47.01 88.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.012 0.434 . . . . 10.0 110.337 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 488' ' ' ILE . . . . . 0.438 HG12 HD11 ' B' ' 73' ' ' LEU . 16.5 mt -73.77 -42.56 54.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.716 -0.674 . . . . 10.0 110.802 -179.383 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 489' ' ' THR . . . . . 0.605 HG23 ' HB3' ' D' ' 479' ' ' ASP . 90.8 m -55.53 -54.11 48.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.42 -0.355 . . . . 10.0 111.855 -179.329 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 1.4 m -64.98 -36.9 85.87 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.978 -0.289 . . . . 10.0 111.51 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 491' ' ' ASP . . . . . 0.599 ' OD1' ' HB2' ' B' ' 72' ' ' ARG . 23.0 t70 -66.83 -43.75 82.92 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.704 -0.48 . . . . 10.0 109.704 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -56.96 -44.58 82.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.231 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 89.8 mt -67.36 -43.18 87.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.844 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 494' ' ' LEU . . . . . 0.4 HD22 ' NE ' ' B' ' 42' ' ' ARG . 0.1 OUTLIER -66.69 -30.43 70.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.471 -0.331 . . . . 10.0 111.423 -179.674 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -80.67 -40.7 25.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.308 -0.405 . . . . 10.0 111.377 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 123.58 28.43 1.3 Allowed Glycine 0 CA--C 1.518 0.253 0 C-N-CA 120.294 -0.955 . . . . 10.0 113.263 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -68.24 -27.64 66.53 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.265 0.555 . . . . 10.0 109.983 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 2.9 mp -118.65 123.61 71.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.215 -0.902 . . . . 10.0 108.739 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -64.68 133.59 52.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.18 0.514 . . . . 10.0 111.644 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 35.4 m -80.31 166.69 38.36 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.193 -0.912 . . . . 10.0 109.787 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.91 93.21 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.391 2.06 . . . . 10.0 112.277 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -86.07 129.34 54.36 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.169 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -62.4 101.92 0.26 Allowed 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.368 2.045 . . . . 10.0 112.166 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 6.5 t . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.072 -0.966 . . . . 10.0 109.687 179.953 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.595 0.236 . . . . 10.0 110.368 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -108.09 142.01 38.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.622 -0.263 . . . . 10.0 110.635 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.2 pt -127.28 153.36 36.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.334 -0.394 . . . . 10.0 109.948 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -110.97 103.18 11.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.254 0.55 . . . . 10.0 111.065 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.1 t -92.68 120.48 42.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.686 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -105.24 127.95 53.19 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.238 0.542 . . . . 10.0 111.377 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.36 154.19 18.71 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.594 -0.73 . . . . 10.0 109.349 178.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.5 mt -72.58 54.89 0.35 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.077 0.465 . . . . 10.0 111.776 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.51 23.72 0.12 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.181 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.39 38.69 95.21 Favored Glycine 0 C--N 1.334 0.437 0 C-N-CA 121.008 -0.615 . . . . 10.0 112.059 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -118.95 131.29 56.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.509 0.195 . . . . 10.0 110.713 -178.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.0 m -118.8 124.22 46.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.858 0.361 . . . . 10.0 110.661 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.3 mt -118.15 124.89 73.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.081 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -96.96 109.2 21.99 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.855 0.36 . . . . 10.0 110.308 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.2 mt -108.28 153.78 22.74 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.803 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -98.82 126.38 44.45 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.911 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.1 m -143.82 175.11 3.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.218 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 4.7 mm-40 -135.67 164.6 42.29 Favored Pre-proline 0 C--N 1.317 -0.836 0 N-CA-C 108.691 -0.855 . . . . 10.0 108.691 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -53.44 -37.39 81.94 Favored 'Trans proline' 0 CA--C 1.534 0.48 0 C-N-CA 122.267 1.978 . . . . 10.0 112.958 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.09 3.37 30.83 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.417 0.525 . . . . 10.0 112.417 -179.015 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.7 OUTLIER -73.07 129.1 37.33 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 109.65 -0.5 . . . . 10.0 109.65 179.681 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.424 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -80.81 147.92 30.23 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.868 -179.462 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.616 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 49.6 mm -58.11 -41.42 80.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.053 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -58.48 -38.71 78.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.675 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.487 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 65.9 t30 -68.21 -36.37 79.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.041 179.616 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 22' ' ' THR . 59.1 t -63.28 -37.58 79.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.956 -0.565 . . . . 10.0 109.737 179.062 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.616 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 6.7 mmmm -61.36 -40.01 92.72 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.716 -0.675 . . . . 10.0 109.972 179.147 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.98 -38.83 89.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.505 -0.77 . . . . 10.0 110.796 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.487 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 52.2 mttt -61.02 -39.67 90.63 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.124 0.488 . . . . 10.0 110.15 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 68.9 mt -70.19 -39.09 76.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.882 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -64.4 -30.69 71.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.796 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -76.69 -38.04 55.11 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.134 0.42 . . . . 10.0 112.134 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -87.04 -37.13 17.75 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.965 0.728 . . . . 10.0 112.965 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -99.72 -33.45 10.58 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.3 0.482 . . . . 10.0 112.3 -178.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.94 0.15 68.84 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.519 -0.848 . . . . 10.0 112.017 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.6 mt -77.94 127.7 81.06 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 110.298 -0.26 . . . . 10.0 110.298 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 18.2 Cg_endo -61.11 136.63 66.28 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.438 2.092 . . . . 10.0 112.288 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.4 Cg_exo -58.75 -24.7 72.68 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.808 2.339 . . . . 10.0 112.629 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.52 -22.64 67.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.949 -0.568 . . . . 10.0 111.691 -179.642 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -108.41 5.38 25.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.868 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.485 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 79.6 mt-30 -94.66 111.67 23.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.05 -179.406 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.7 mtt180 -112.28 99.84 8.34 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.912 -0.403 . . . . 10.0 109.912 178.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.7 mt -85.48 120.07 26.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.816 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -114.14 132.62 62.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.385 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -125.17 109.83 13.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.079 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.83 15.77 9.31 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.53 -0.759 . . . . 10.0 111.993 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.529 ' HA2' ' HB3' ' D' ' 473' ' ' TYR . . . 114.33 -31.4 6.46 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.599 -0.81 . . . . 10.0 112.725 179.563 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -84.09 137.91 33.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.887 0.375 . . . . 10.0 110.4 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -82.59 135.94 34.94 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.565 -0.531 . . . . 10.0 109.565 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.9 mt -80.41 133.56 35.9 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.429 -0.35 . . . . 10.0 110.596 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.515 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 3.0 mt-10 -86.38 144.14 27.48 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 179.115 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.41 -45.95 80.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.928 -0.578 . . . . 10.0 112.333 -178.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.45 43.29 3.18 Favored Glycine 0 CA--C 1.516 0.109 0 C-N-CA 120.758 -0.734 . . . . 10.0 114.234 -178.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.515 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 30.3 mmt180 -133.51 167.48 20.38 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.608 -0.516 . . . . 10.0 109.608 179.006 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.2 p -109.77 169.38 8.75 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.901 -0.407 . . . . 10.0 109.901 178.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.438 HD12 ' O ' ' A' ' 18' ' ' GLU . 63.4 mt -65.87 -31.62 72.66 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.109 0.48 . . . . 10.0 110.66 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.26 -20.48 63.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.23 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -70.08 -19.75 63.25 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.198 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -116.19 8.29 14.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.603 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t30 63.7 31.76 14.18 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.556 -0.747 . . . . 10.0 111.456 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.1 mt -76.76 122.98 32.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.11 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -111.36 -168.32 1.29 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.532 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -71.42 150.4 45.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.783 0.325 . . . . 10.0 111.491 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 66.2 15.35 10.05 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.418 -0.81 . . . . 10.0 112.413 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.9 m -78.01 139.36 39.12 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.904 0.383 . . . . 10.0 110.248 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.84 130.76 37.55 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.691 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.3 mp -120.44 141.29 50.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.226 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.2 m80 -95.59 121.89 37.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.361 -0.382 . . . . 10.0 111.15 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.6 tp -100.02 97.51 8.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.202 0.525 . . . . 10.0 110.043 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.4 HG13 ' HB2' ' D' ' 469' ' ' PRO . 25.6 t -88.73 134.99 26.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.381 -0.827 . . . . 10.0 110.752 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.6 mt -112.84 131.62 55.63 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -109.13 123.82 49.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.816 0.341 . . . . 10.0 111.115 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.5 mt -80.7 163.21 23.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.33 -0.396 . . . . 10.0 110.111 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 55.7 mmm-85 -100.54 -26.4 13.85 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.856 0.36 . . . . 10.0 110.915 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -148.42 169.22 29.05 Favored Glycine 0 N--CA 1.443 -0.838 0 C-N-CA 120.905 -0.664 . . . . 10.0 111.956 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.9 -0.945 . . . . 10.0 111.57 179.949 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.482 1.153 0 N-CA-C 109.914 -0.402 . . . . 10.0 109.914 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -100.84 135.0 42.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.604 0.24 . . . . 10.0 110.678 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 28.0 pt -125.6 153.37 33.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -116.7 110.92 19.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.782 0.325 . . . . 10.0 110.714 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 15.7 t -98.47 113.75 34.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.071 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -96.59 136.82 36.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.868 0.366 . . . . 10.0 110.468 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.8 p -105.76 168.39 9.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.917 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.569 HD22 ' HB ' ' D' ' 486' ' ' VAL . 13.2 mt -61.9 -22.15 65.33 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.057 0.456 . . . . 10.0 110.923 178.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.84 -12.21 60.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.833 -0.621 . . . . 10.0 111.734 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.91 -3.0 62.18 Favored Glycine 0 C--N 1.329 0.16 0 C-N-CA 121.018 -0.61 . . . . 10.0 112.444 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -76.69 138.17 39.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.772 0.32 . . . . 10.0 110.953 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.9 m -111.68 107.53 16.67 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.346 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.2 mt -91.16 130.2 40.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.521 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m -99.77 131.58 45.66 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.552 -0.536 . . . . 10.0 109.552 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 88.9 mt -132.11 129.72 40.27 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.837 0.351 . . . . 10.0 111.124 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -87.17 90.76 8.48 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.492 HG12 ' HE3' ' B' ' 29' ' ' LYS . 33.7 m -114.01 179.9 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.696 -0.683 . . . . 10.0 110.693 -178.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -133.69 154.04 80.42 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 109.295 -0.632 . . . . 10.0 109.295 179.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -53.33 -37.55 81.3 Favored 'Trans proline' 0 N--CA 1.472 0.257 0 C-N-CA 122.761 2.308 . . . . 10.0 113.064 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -6.66 49.11 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 112.789 0.663 . . . . 10.0 112.789 -178.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -76.49 151.28 36.47 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.848 -0.427 . . . . 10.0 109.848 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.479 ' O ' HG23 ' B' ' 26' ' ' VAL . 3.2 p -94.44 151.95 18.97 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.691 -178.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.3 mm -59.14 -37.87 70.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.261 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.27 -42.95 92.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.593 178.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.4 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 57.8 t30 -69.52 -33.69 73.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.57 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.479 HG23 ' O ' ' B' ' 22' ' ' THR . 82.7 t -62.47 -42.81 97.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 178.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -63.96 -33.08 74.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.763 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.64 -35.47 80.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.093 0.473 . . . . 10.0 110.316 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.492 ' HE3' HG12 ' B' ' 17' ' ' VAL . 35.4 mttm -67.78 -37.04 81.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.188 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 69.5 mt -67.66 -29.21 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.635 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.531 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 62.4 tt0 -72.75 -29.89 63.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.84 178.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -78.38 -42.46 30.26 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.818 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.2 mttt -74.81 -68.1 0.58 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.957 0.408 . . . . 10.0 111.087 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -73.13 -58.9 2.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.942 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.531 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 113.29 25.38 4.41 Favored Glycine 0 C--N 1.32 -0.312 0 C-N-CA 120.622 -0.799 . . . . 10.0 111.937 -178.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 43.2 mt -96.97 129.31 32.77 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.76 -0.22 . . . . 10.0 110.494 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.473 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 42.9 Cg_exo -56.81 133.84 60.63 Favored 'Trans proline' 0 CA--C 1.53 0.302 0 C-N-CA 122.185 1.923 . . . . 10.0 111.71 179.175 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 37.7 Cg_exo -60.25 -15.02 32.31 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.865 2.376 . . . . 10.0 112.973 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -78.0 -25.12 47.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.801 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -102.21 -2.88 28.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.608 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -83.41 106.42 15.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.801 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.491 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 7.8 mtp180 -100.81 93.16 5.4 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.546 -0.538 . . . . 10.0 109.546 179.145 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 15.1 mt -79.91 128.02 32.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.492 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.2 mp -126.57 137.12 58.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.603 -0.726 . . . . 10.0 109.577 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -129.63 107.28 9.32 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.595 -0.521 . . . . 10.0 109.595 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.5 19.55 11.84 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.997 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.64 -19.19 21.83 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.588 -0.815 . . . . 10.0 113.877 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -108.98 145.91 34.73 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 117.229 0.514 . . . . 10.0 111.455 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -74.72 160.31 30.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.974 -0.557 . . . . 10.0 111.455 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 38.6 mt -111.74 130.43 55.79 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.486 -0.779 . . . . 10.0 109.657 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -78.32 145.36 35.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.752 0.31 . . . . 10.0 110.984 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.19 -51.83 66.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.846 -0.615 . . . . 10.0 111.967 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.61 50.76 4.46 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 121.067 -0.587 . . . . 10.0 113.647 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 84.2 mmt-85 -135.28 155.96 49.76 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.077 -0.342 . . . . 10.0 110.077 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.57 156.77 16.63 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.29 179.289 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.2 mt -65.36 -31.16 72.13 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.865 0.364 . . . . 10.0 110.627 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.61 -23.17 62.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.088 -0.506 . . . . 10.0 111.175 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -70.59 -29.8 66.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.939 0.4 . . . . 10.0 110.495 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -96.73 6.57 48.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 58.7 t30 63.21 27.64 15.62 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.49 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 67.8 mt -77.08 98.2 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 110.065 -0.346 . . . . 10.0 110.065 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -84.41 -168.83 2.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.75 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -75.7 147.9 39.03 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.424 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 66.9 25.12 9.53 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.35 -0.841 . . . . 10.0 111.963 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.7 m -88.98 143.94 26.51 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.568 -0.287 . . . . 10.0 110.384 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 18.2 m -93.83 123.83 37.44 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.956 0.408 . . . . 10.0 111.24 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -108.1 148.82 29.28 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.028 -0.731 . . . . 10.0 109.028 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -106.63 126.6 52.48 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.851 0.358 . . . . 10.0 110.625 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 60.6 tp -110.51 100.06 8.94 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.924 0.392 . . . . 10.0 110.25 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.491 ' HB ' ' HB2' ' B' ' 42' ' ' ARG . 90.5 t -83.64 130.23 36.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.5 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 22.7 mt -84.42 151.68 24.5 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.494 -0.558 . . . . 10.0 109.494 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 54.4 ttt-85 -126.22 108.3 11.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.796 0.331 . . . . 10.0 111.609 -178.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.512 HD12 ' HB2' ' D' ' 487' ' ' GLU . 50.8 mt -98.83 56.75 1.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.342 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -108.2 -2.15 19.63 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.605 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.59 -70.33 2.47 Favored Glycine 0 N--CA 1.449 -0.459 0 N-CA-C 111.226 -0.75 . . . . 10.0 111.226 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.904 0 CA-C-O 118.836 -0.98 . . . . 10.0 111.455 179.452 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 453' ' ' SER . . . . . 0.415 ' HB2' ' OG ' ' D' ' 455' ' ' SER . 0.3 OUTLIER . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 120.338 0.113 . . . . 10.0 111.246 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 61.37 27.69 17.27 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.109 0.48 . . . . 10.0 110.668 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 455' ' ' SER . . . . . 0.415 ' OG ' ' HB2' ' D' ' 453' ' ' SER . 0.3 OUTLIER -60.31 -49.53 77.23 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.661 -179.13 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -65.39 -38.63 90.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 10.0 110.646 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.96 -42.67 99.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.504 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -66.02 -41.45 90.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.852 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.35 -45.55 90.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.452 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 58.3 mtm -64.54 -41.43 96.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.64 -37.16 86.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.031 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -57.09 -45.52 83.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.843 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 463' ' ' GLN . . . . . 0.403 ' NE2' ' HA ' ' D' ' 463' ' ' GLN . 9.6 tp60 -58.72 -32.34 69.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.878 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 464' ' ' ILE . . . . . 0.418 HD11 HG12 ' D' ' 486' ' ' VAL . 62.3 mt -77.69 -36.55 22.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.283 179.503 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 40.3 tp60 -63.35 -32.41 73.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.296 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -69.44 -24.72 63.86 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.924 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 66.8 mtm -92.87 -37.54 12.22 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.704 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 468' ' ' PHE . . . . . 0.474 ' O ' HG12 ' D' ' 471' ' ' VAL . 17.6 m-85 -118.22 98.56 51.49 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.084 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 469' ' ' PRO . . . . . 0.4 ' HB2' HG13 ' A' ' 70' ' ' VAL . 73.5 Cg_endo -78.44 -0.17 10.47 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.708 2.272 . . . . 10.0 112.999 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -119.09 28.7 8.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.577 -0.283 . . . . 10.0 111.583 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 471' ' ' VAL . . . . . 0.474 HG12 ' O ' ' D' ' 468' ' ' PHE . 7.7 p -117.72 132.29 23.7 Favored Pre-proline 0 C--N 1.324 -0.501 0 C-N-CA 121.059 -0.256 . . . . 10.0 110.533 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 472' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' D' ' 471' ' ' VAL . 24.3 Cg_exo -65.8 117.75 4.9 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.35 2.033 . . . . 10.0 111.612 178.554 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 473' ' ' TYR . . . . . 0.529 ' HB3' ' HA2' ' A' ' 47' ' ' GLY . 33.0 t80 -51.86 -42.02 62.32 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.762 -0.654 . . . . 10.0 112.596 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -66.22 -29.99 70.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.558 0.218 . . . . 10.0 111.303 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 475' ' ' LEU . . . . . 0.432 HD12 ' HG2' ' D' ' 472' ' ' PRO . 13.7 mt -74.65 -33.93 62.63 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.744 -0.465 . . . . 10.0 109.744 179.246 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 476' ' ' VAL . . . . . 0.419 HG23 ' O ' ' D' ' 472' ' ' PRO . 37.1 t -64.99 -41.26 91.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.298 -0.63 . . . . 10.0 109.298 178.664 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 81.9 mt -64.04 -28.65 69.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.577 -0.738 . . . . 10.0 110.55 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -71.64 -51.3 23.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.376 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 479' ' ' ASP . . . . . 0.491 ' HB3' HG23 ' D' ' 489' ' ' THR . 11.4 t70 -62.03 -37.56 85.38 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.959 -0.385 . . . . 10.0 109.959 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 480' ' ' LEU . . . . . 0.412 ' O ' ' HA ' ' D' ' 484' ' ' ARG . 0.2 OUTLIER -59.82 -22.78 62.7 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.846 -0.615 . . . . 10.0 111.134 179.317 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -91.08 -16.75 27.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.62 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -93.63 -51.86 4.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.959 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 65.1 p -88.49 -38.35 15.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.078 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 484' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' D' ' 480' ' ' LEU . 4.3 mtt180 65.03 31.63 11.02 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.561 -0.745 . . . . 10.0 111.587 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.39 120.96 4.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.202 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 486' ' ' VAL . . . . . 0.569 ' HB ' HD22 ' B' ' 8' ' ' LEU . 6.5 m -62.24 -26.01 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.221 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 487' ' ' GLU . . . . . 0.512 ' HB2' HD12 ' B' ' 73' ' ' LEU . 2.6 mp0 -75.61 0.57 17.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.237 0.541 . . . . 10.0 110.838 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 67.6 mt -121.87 -41.05 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.592 178.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 489' ' ' THR . . . . . 0.491 HG23 ' HB3' ' D' ' 479' ' ' ASP . 81.6 m -57.3 -57.5 12.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 10.0 111.933 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.16 -40.03 80.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.997 0.427 . . . . 10.0 110.954 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -66.99 -43.41 83.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.91 -0.587 . . . . 10.0 110.201 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -54.36 -34.5 61.28 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.453 179.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 493' ' ' ILE . . . . . 0.423 HG13 ' O ' ' D' ' 489' ' ' THR . 54.5 mt -71.13 -45.07 73.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.036 0.446 . . . . 10.0 110.297 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 494' ' ' LEU . . . . . 0.452 HD21 ' HZ ' ' D' ' 468' ' ' PHE . 5.8 mt -66.91 -36.36 82.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.723 -0.672 . . . . 10.0 111.43 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -71.22 -47.2 58.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.526 -0.306 . . . . 10.0 110.467 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 127.69 93.94 0.82 Allowed Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.686 -0.768 . . . . 10.0 112.406 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -159.12 -49.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.912 0.387 . . . . 10.0 110.056 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 1.9 mp -69.37 136.02 27.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.771 -0.649 . . . . 10.0 109.984 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -67.51 126.53 29.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.915 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 34.7 m -79.75 159.59 71.18 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.501 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -72.02 67.91 3.24 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.835 2.357 . . . . 10.0 112.127 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -79.72 129.6 70.51 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.448 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -69.57 112.82 3.15 Favored 'Trans proline' 0 C--O 1.234 0.325 0 C-N-CA 122.449 2.1 . . . . 10.0 111.714 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 12.7 t . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.261 -0.876 . . . . 10.0 109.807 -179.78 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.655 0.264 . . . . 10.0 110.626 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 -106.97 137.34 45.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.407 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.5 pt -125.49 164.82 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.636 -0.256 . . . . 10.0 110.332 178.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -119.68 126.32 50.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.895 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.4 t -116.02 124.07 71.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.491 -0.559 . . . . 10.0 109.491 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.504 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 38.2 ttmt -107.75 127.47 53.72 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.995 0.426 . . . . 10.0 111.69 -178.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.75 176.1 7.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.824 179.196 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 92.3 mt -65.58 -19.99 66.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.387 -0.37 . . . . 10.0 111.699 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.54 0.12 47.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.799 0.333 . . . . 10.0 111.418 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.33 22.74 62.17 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.688 -0.768 . . . . 10.0 111.611 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.504 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 80.7 tttt -95.81 126.17 40.89 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.209 -0.293 . . . . 10.0 110.209 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -105.1 115.78 30.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.015 0.436 . . . . 10.0 110.799 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.0 mt -104.76 137.72 32.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.524 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.4 m -98.11 127.27 43.96 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.97 -0.382 . . . . 10.0 109.97 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.4 mt -124.05 148.92 46.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.749 0.309 . . . . 10.0 111.435 -179.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -98.07 117.37 32.28 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.357 -0.609 . . . . 10.0 109.357 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.9 m -142.19 173.26 7.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.189 -0.459 . . . . 10.0 110.94 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.497 ' O ' HD12 ' A' ' 56' ' ' LEU . 19.0 mm-40 -130.22 155.16 81.26 Favored Pre-proline 0 C--N 1.321 -0.65 0 N-CA-C 108.861 -0.792 . . . . 10.0 108.861 178.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.18 -30.11 59.58 Favored 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 122.683 2.255 . . . . 10.0 112.965 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 p -81.1 -2.21 47.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.304 -0.407 . . . . 10.0 112.061 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 3.0 t0 -73.45 147.5 44.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.032 0.444 . . . . 10.0 111.106 -179.186 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.29 146.49 23.67 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.518 -0.765 . . . . 10.0 110.665 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.438 HG12 ' O ' ' A' ' 54' ' ' ARG . 39.1 mm -56.83 -41.2 75.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 10.0 110.856 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -58.71 -38.79 79.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.619 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.4 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 65.5 t30 -69.74 -34.81 74.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.961 0.41 . . . . 10.0 110.416 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.5 t -62.86 -43.11 98.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.505 -0.554 . . . . 10.0 109.505 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -65.53 -34.23 77.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.952 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.43 -35.08 79.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.925 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 89.6 mttt -69.84 -35.61 74.88 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.611 178.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.4 mt -69.12 -35.38 68.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 116.033 -0.53 . . . . 10.0 109.794 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -64.78 -28.23 69.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.769 -0.651 . . . . 10.0 110.643 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -81.6 -21.31 38.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.049 0.452 . . . . 10.0 110.964 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -91.46 -50.28 5.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.709 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -93.59 -41.64 9.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.736 -178.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.5 -2.12 36.89 Favored Glycine 0 C--N 1.321 -0.251 0 C-N-CA 120.652 -0.785 . . . . 10.0 111.54 -178.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 29.4 mt -75.07 129.22 83.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.433 -0.384 . . . . 10.0 110.846 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 23.2 Cg_exo -63.39 145.12 92.32 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.474 2.116 . . . . 10.0 111.837 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 34.2 Cg_exo -60.52 -19.28 58.79 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.72 2.28 . . . . 10.0 112.2 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.09 -28.61 69.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.233 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -109.3 15.05 23.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.683 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -103.32 106.47 16.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.5 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -111.23 102.97 11.35 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.543 -0.54 . . . . 10.0 109.543 178.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.2 mt -86.37 125.67 33.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.197 0.522 . . . . 10.0 111.428 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 56.5 mt -122.16 124.55 71.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.147 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -109.52 102.62 11.47 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.863 0.363 . . . . 10.0 110.889 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.78 32.41 21.86 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.569 -0.742 . . . . 10.0 112.326 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.75 -20.99 43.96 Favored Glycine 0 C--O 1.229 -0.211 0 C-N-CA 120.601 -0.809 . . . . 10.0 112.415 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.8 mtmt -92.73 111.87 23.63 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.147 -0.316 . . . . 10.0 110.147 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.52 136.01 50.84 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.092 -0.336 . . . . 10.0 110.092 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.408 HD13 HD12 ' A' ' 23' ' ' ILE . 22.1 mt -87.79 144.91 26.36 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.763 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.503 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 0.4 OUTLIER -102.2 137.67 40.16 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.457 -0.572 . . . . 10.0 109.457 179.089 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -49.06 -45.52 43.11 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.02 0.748 . . . . 10.0 113.02 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.12 33.74 3.11 Favored Glycine 0 CA--C 1.52 0.393 0 C-N-CA 121.056 -0.592 . . . . 10.0 114.186 -178.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.503 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 22.0 mmt180 -127.26 165.13 20.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 117.159 0.48 . . . . 10.0 110.068 179.38 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.467 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 58.7 p -107.48 169.44 8.58 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.56 -0.291 . . . . 10.0 110.576 179.452 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 18' ' ' GLU . 95.9 mt -67.08 -29.29 69.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.157 0.503 . . . . 10.0 110.183 179.335 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.4 m -73.15 -17.77 61.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.741 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.467 ' HB2' ' O ' ' A' ' 55' ' ' THR . 2.6 m-20 -68.17 -28.19 67.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.994 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -112.08 5.85 18.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.758 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 t30 60.13 48.81 7.99 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.689 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 82.0 mt -86.73 111.18 21.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.749 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -91.54 -171.89 3.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.85 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.4 pttt -74.17 151.09 40.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 68.05 18.16 9.46 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.709 -0.678 . . . . 10.0 112.394 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.6 m -78.98 147.48 32.92 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.911 -0.316 . . . . 10.0 110.166 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 m -105.59 118.54 36.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.133 0.492 . . . . 10.0 111.324 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -105.75 144.36 32.6 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.646 -0.706 . . . . 10.0 109.285 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -104.09 133.7 48.58 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 110.108 -0.33 . . . . 10.0 110.108 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.0 tp -112.59 112.38 23.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.957 0.408 . . . . 10.0 110.908 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.6 t -105.11 136.6 38.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.936 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 71.8 mt -93.11 138.74 31.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.654 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -110.46 98.27 7.52 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.923 0.392 . . . . 10.0 110.851 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 79.7 mt -94.42 130.07 40.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.468 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.64 174.69 10.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.625 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 111.99 -41.04 2.34 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.898 -0.668 . . . . 10.0 111.852 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.001 0 CA-C-O 117.925 -1.486 . . . . 10.0 110.709 179.86 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptt? . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 120.616 0.246 . . . . 10.0 110.449 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -98.97 128.44 45.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.64 -0.255 . . . . 10.0 110.433 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 36.9 pt -117.66 164.04 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.151 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.41 ' O ' ' HA ' ' B' ' 66' ' ' THR . 85.8 m-85 -123.56 121.91 36.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.036 0.446 . . . . 10.0 111.117 -179.199 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 84.4 t -100.5 119.76 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.15 -0.477 . . . . 10.0 109.778 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 10.1 tttp -97.46 127.65 43.6 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.143 0.497 . . . . 10.0 110.769 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.95 156.5 17.97 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.609 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 56.8 mt -64.43 -14.22 55.6 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.881 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.04 10.0 20.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.156 -0.475 . . . . 10.0 111.216 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.17 42.93 49.32 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.665 -0.779 . . . . 10.0 111.276 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 32.4 tttp -120.02 145.0 47.23 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.629 -0.285 . . . . 10.0 110.453 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -125.96 96.49 4.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.01 0.433 . . . . 10.0 110.512 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 53.7 mt -85.89 135.99 23.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.468 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 3.6 m -100.48 122.2 42.81 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.206 -0.294 . . . . 10.0 110.206 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 53.3 mt -115.08 135.97 53.63 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.219 0.533 . . . . 10.0 111.246 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -97.05 101.27 12.8 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.386 -0.825 . . . . 10.0 108.915 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 6.8 m -134.81 175.04 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.152 0.501 . . . . 10.0 111.63 -178.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.494 ' O ' HD12 ' B' ' 56' ' ' LEU . 25.2 mm-40 -127.32 154.27 77.1 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.439 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 53.1 Cg_exo -54.64 -27.92 53.6 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.739 2.293 . . . . 10.0 113.01 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.37 -12.59 60.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.103 -0.498 . . . . 10.0 112.02 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -75.28 152.55 38.23 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.898 0.38 . . . . 10.0 110.325 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.492 ' O ' HG23 ' B' ' 26' ' ' VAL . 18.1 p -96.73 152.04 19.06 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.159 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 41.7 mm -55.55 -40.03 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.43 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -58.96 -43.12 91.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.609 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -71.28 -24.71 62.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.587 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.492 HG23 ' O ' ' B' ' 22' ' ' THR . 94.6 t -72.7 -43.55 61.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 178.225 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.421 ' HD2' ' HB2' ' B' ' 41' ' ' GLN . 49.3 mtmt -62.91 -34.05 76.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.506 179.217 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.16 -33.87 75.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.672 179.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -69.82 -36.8 75.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.937 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 56.8 mt -69.38 -32.64 54.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 109.284 -0.635 . . . . 10.0 109.284 178.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.416 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 53.0 tt0 -69.22 -32.35 71.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.509 -0.769 . . . . 10.0 109.977 178.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -74.27 -40.54 62.25 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.562 179.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -73.47 -62.41 1.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.95 -0.568 . . . . 10.0 112.461 -179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -83.41 -46.37 12.61 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.261 0.467 . . . . 10.0 112.261 -178.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 108.98 9.48 26.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.468 -0.872 . . . . 10.0 112.169 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.0 mt -84.11 126.08 70.89 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 110.471 -0.196 . . . . 10.0 110.471 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 52.2 Cg_exo -54.71 139.31 77.1 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.791 2.328 . . . . 10.0 112.115 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 24.3 Cg_exo -61.73 -17.2 53.45 Favored 'Trans proline' 0 CA--C 1.533 0.436 0 C-N-CA 122.773 2.316 . . . . 10.0 112.758 -179.185 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -69.96 -33.22 71.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.1 0.476 . . . . 10.0 110.68 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -92.39 -4.34 53.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.689 -0.687 . . . . 10.0 110.68 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.421 ' HB2' ' HD2' ' B' ' 27' ' ' LYS . 68.2 mt-30 -87.47 103.38 15.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.425 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -107.76 100.5 9.87 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.566 -0.531 . . . . 10.0 109.566 178.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 75.5 mt -86.99 124.47 33.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.043 0.449 . . . . 10.0 111.281 -179.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mp -118.37 134.43 61.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.646 -0.706 . . . . 10.0 109.955 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.663 ' HB3' HD21 ' B' ' 50' ' ' LEU . 59.9 t80 -131.45 126.33 34.78 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.085 -0.507 . . . . 10.0 109.71 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.31 23.45 13.68 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.745 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.93 9.41 67.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.854 -0.688 . . . . 10.0 113.057 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -125.31 143.63 50.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.666 0.233 . . . . 10.0 110.389 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -80.4 145.13 32.14 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.85 0.357 . . . . 10.0 110.838 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.663 HD21 ' HB3' ' B' ' 45' ' ' PHE . 13.4 mt -98.63 143.09 29.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.069 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.402 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 34.4 mt-10 -91.86 148.28 22.34 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.01 -0.367 . . . . 10.0 110.01 179.55 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.38 -50.83 72.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.057 -0.52 . . . . 10.0 112.053 -179.18 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.17 54.0 4.82 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 121.179 -0.534 . . . . 10.0 113.392 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.402 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 37.1 mmt180 -141.61 158.86 43.3 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 179.419 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.448 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 76.5 p -99.77 163.51 12.44 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.72 -0.474 . . . . 10.0 109.72 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.494 HD12 ' O ' ' B' ' 18' ' ' GLU . 89.4 mt -64.5 -32.12 73.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.1 0.476 . . . . 10.0 110.149 179.431 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.65 -23.79 63.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.791 -0.64 . . . . 10.0 111.361 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' B' ' 55' ' ' THR . 3.8 m-20 -62.27 -38.3 88.78 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.967 0.413 . . . . 10.0 111.551 -179.454 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -99.12 12.88 34.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.726 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 59.87 36.3 21.87 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.064 0.459 . . . . 10.0 110.913 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 81.7 mt -77.26 124.39 35.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.402 -0.592 . . . . 10.0 109.402 179.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -113.2 -170.79 1.75 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.27 0.557 . . . . 10.0 111.722 -178.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 44.9 pttt -68.97 145.18 53.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.391 -0.822 . . . . 10.0 110.753 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 63.15 14.98 8.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.584 -0.734 . . . . 10.0 112.976 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 73.1 m -78.25 144.96 35.74 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 4.5 m -94.18 126.63 39.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.292 0.568 . . . . 10.0 112.286 -178.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 mp -107.44 115.89 30.96 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.673 -0.862 . . . . 10.0 108.673 178.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.5 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 42.7 m80 -79.39 120.63 24.09 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.722 0.296 . . . . 10.0 110.732 -179.164 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 54.4 tp -98.99 105.39 17.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.889 0.376 . . . . 10.0 110.586 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.445 HG13 ' HB ' ' D' ' 490' ' ' THR . 93.6 t -92.63 131.88 38.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.134 179.155 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 46.0 mt -97.01 109.99 22.63 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.111 -0.329 . . . . 10.0 110.111 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.42 ' HA ' ' CG ' ' D' ' 491' ' ' ASP . 12.9 ttm180 -87.56 133.75 33.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.382 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.3 mp -129.91 54.28 1.86 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.229 0.537 . . . . 10.0 110.959 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.568 ' HG2' ' OD2' ' D' ' 491' ' ' ASP . 2.9 mmp_? -112.17 57.09 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.018 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 111.76 -146.43 17.94 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.597 -0.811 . . . . 10.0 112.409 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.436 -1.202 . . . . 10.0 111.81 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.476 0.851 0 CA-C-O 120.551 0.215 . . . . 10.0 110.508 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 57.94 26.72 13.73 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.207 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.91 -53.72 19.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.332 -179.145 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -68.52 -34.52 76.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 10.0 110.904 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 74.7 mt -63.31 -46.86 84.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.033 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 -63.68 -40.28 96.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.055 -0.521 . . . . 10.0 110.724 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.27 -45.89 91.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.847 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 71.6 mtm -66.24 -35.73 81.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.649 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.92 -34.23 77.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.486 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 61.4 t60 -60.62 -37.81 82.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.079 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -63.66 -34.55 78.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.655 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 72.1 mt -74.74 -33.03 29.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.32 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -65.59 -22.0 66.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.999 0.428 . . . . 10.0 110.329 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -77.39 -20.81 54.12 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.969 -0.559 . . . . 10.0 109.893 178.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 467' ' ' MET . . . . . 0.5 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 35.2 mmm -96.8 -48.04 5.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.534 -0.757 . . . . 10.0 110.083 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 468' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -124.57 91.87 48.81 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.761 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -85.96 20.21 1.27 Allowed 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.424 2.082 . . . . 10.0 112.039 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -118.76 18.95 13.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.2 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 471' ' ' VAL . . . . . . . . . . . . . 7.5 p -126.75 128.71 24.21 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 109.965 -0.384 . . . . 10.0 109.965 179.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 472' ' ' PRO . . . . . 0.463 ' HB3' ' CE1' ' D' ' 474' ' ' HIS . 52.2 Cg_exo -53.97 127.12 24.34 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 122.823 2.349 . . . . 10.0 113.128 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -51.23 -44.84 61.76 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.414 -0.812 . . . . 10.0 112.101 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 474' ' ' HIS . . . . . 0.463 ' CE1' ' HB3' ' D' ' 472' ' ' PRO . 26.9 p-80 -63.22 -30.28 71.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.816 -179.103 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 475' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' D' ' 475' ' ' LEU . 28.9 mt -78.58 -33.28 47.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.678 0.275 . . . . 10.0 110.289 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 476' ' ' VAL . . . . . 0.416 HG23 ' O ' ' D' ' 472' ' ' PRO . 59.9 t -63.83 -42.43 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.285 0.564 . . . . 10.0 109.505 178.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 57.3 mt -61.89 -24.8 67.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.357 -0.838 . . . . 10.0 111.504 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -63.76 -46.65 84.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.48 -0.327 . . . . 10.0 111.008 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 479' ' ' ASP . . . . . 0.527 ' HB2' HD11 ' D' ' 498' ' ' ILE . 13.0 t70 -70.15 -30.89 68.15 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.729 -0.471 . . . . 10.0 109.729 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -64.92 -25.01 67.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.28 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -91.42 -1.09 57.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.975 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.14 -58.38 2.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.624 -0.716 . . . . 10.0 110.949 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 483' ' ' THR . . . . . 0.406 ' O ' ' HB2' ' D' ' 484' ' ' ARG . 82.7 p -90.93 -36.41 14.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.864 0.364 . . . . 10.0 111.173 -179.295 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 484' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' D' ' 483' ' ' THR . 8.1 mpt_? 68.93 22.87 6.91 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.315 -179.136 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.84 116.06 7.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.282 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 29.3 m -55.81 -25.76 19.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.948 -0.569 . . . . 10.0 112.505 -178.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -60.1 -58.77 7.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 6.6 mt -70.19 -24.52 26.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.128 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 489' ' ' THR . . . . . 0.526 HG23 ' HB3' ' D' ' 479' ' ' ASP . 93.3 m -63.79 -55.96 19.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.97 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 490' ' ' THR . . . . . 0.445 ' HB ' HG13 ' B' ' 70' ' ' VAL . 1.5 m -61.6 -32.19 72.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.341 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 491' ' ' ASP . . . . . 0.568 ' OD2' ' HG2' ' B' ' 74' ' ' ARG . 35.4 t0 -67.78 -49.66 61.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.218 -0.901 . . . . 10.0 109.494 178.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -57.85 -36.57 72.5 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.832 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 493' ' ' ILE . . . . . 0.435 HG13 ' O ' ' D' ' 489' ' ' THR . 88.2 mt -62.41 -44.91 99.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 121.101 0.477 . . . . 10.0 110.019 179.054 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.12 -29.33 68.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.865 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -73.66 -41.18 63.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.98 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 126.65 25.43 1.26 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.394 -0.908 . . . . 10.0 112.9 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -74.36 -64.94 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.562 -0.533 . . . . 10.0 109.562 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 498' ' ' ILE . . . . . 0.527 HD11 ' HB2' ' D' ' 479' ' ' ASP . 4.4 mp -78.74 125.31 38.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.405 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -71.6 126.05 28.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.971 0.415 . . . . 10.0 110.638 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 15.4 m -74.65 160.23 81.48 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -57.4 110.12 0.56 Allowed 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.893 2.395 . . . . 10.0 112.623 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -118.2 131.47 24.18 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.229 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -68.31 84.15 0.47 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.553 2.169 . . . . 10.0 112.151 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 11.5 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.832 -0.604 . . . . 10.0 110.452 -179.583 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.456 ' HB2' ' HB3' ' A' ' 63' ' ' LYS . 26.6 ptt? . . . . . 0 N--CA 1.477 0.91 0 N-CA-C 110.251 -0.277 . . . . 10.0 110.251 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -108.0 146.56 32.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.913 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.1 pt -132.19 162.75 39.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.021 178.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.456 ' O ' ' HA ' ' A' ' 66' ' ' THR . 86.5 m-85 -118.02 107.41 14.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.752 0.311 . . . . 10.0 110.903 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 13' ' ' ILE . 50.0 t -96.94 117.19 41.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.844 -0.428 . . . . 10.0 109.844 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 17.8 mttp -103.09 121.74 43.22 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.288 0.566 . . . . 10.0 111.603 -179.025 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.65 162.93 16.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.5 -0.773 . . . . 10.0 110.393 179.402 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.416 HD11 HG13 ' A' ' 70' ' ' VAL . 65.8 mt -57.27 -28.91 63.4 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.774 0.321 . . . . 10.0 111.853 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.56 4.12 12.01 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.185 0.439 . . . . 10.0 112.185 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.08 40.31 25.17 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.69 -0.767 . . . . 10.0 111.805 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 44.5 tttp -113.04 125.23 54.16 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.904 -0.148 . . . . 10.0 110.707 -179.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.4 m -100.86 111.61 23.87 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.926 0.393 . . . . 10.0 110.2 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 5' ' ' VAL . 0.7 OUTLIER -99.57 123.6 52.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.87 -179.512 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.28 110.11 20.92 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.756 -0.461 . . . . 10.0 109.756 178.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.461 HD11 HG12 ' A' ' 30' ' ' ILE . 83.1 mt -115.53 143.9 44.65 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.089 0.471 . . . . 10.0 111.694 -178.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -95.02 121.86 37.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.381 -0.827 . . . . 10.0 109.445 179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.5 m -143.84 -179.31 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.918 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -141.88 155.17 66.06 Favored Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 108.565 -0.902 . . . . 10.0 108.565 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.06 -32.57 69.72 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.339 2.026 . . . . 10.0 112.927 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.46 7.23 20.45 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.204 0.446 . . . . 10.0 112.204 -179.45 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -85.61 139.89 31.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.752 0.31 . . . . 10.0 110.252 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.51 144.45 31.32 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.743 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.7 mm -56.87 -39.47 65.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.109 0.48 . . . . 10.0 110.056 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -56.73 -38.61 72.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.266 -0.879 . . . . 10.0 110.66 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -67.78 -37.23 81.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.022 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.407 ' O ' HG13 ' A' ' 30' ' ' ILE . 40.3 t -63.67 -39.76 86.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.911 -0.586 . . . . 10.0 109.854 179.307 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -60.44 -40.19 90.22 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.433 0.635 . . . . 10.0 109.969 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.11 -35.67 80.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.421 -0.808 . . . . 10.0 110.558 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.01 -36.84 85.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.165 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.461 HG12 HD11 ' A' ' 15' ' ' LEU . 59.5 mt -73.15 -32.8 40.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 121.433 0.635 . . . . 10.0 109.77 178.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -64.28 -39.51 94.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.379 -0.828 . . . . 10.0 110.629 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -72.96 -15.54 61.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.04 0.448 . . . . 10.0 111.014 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -87.66 -69.99 0.65 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.206 0.447 . . . . 10.0 112.206 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -94.06 -6.9 44.11 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.695 0.628 . . . . 10.0 112.695 -177.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.33 28.63 59.6 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.362 -0.923 . . . . 10.0 112.126 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.7 mt -93.9 122.38 62.19 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 110.309 -0.256 . . . . 10.0 110.309 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 42.7 Cg_exo -56.37 131.1 43.69 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.478 2.119 . . . . 10.0 111.901 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 51.5 Cg_exo -54.86 -33.3 81.2 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 123.168 2.579 . . . . 10.0 113.174 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -67.02 -20.33 65.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.186 0.517 . . . . 10.0 111.066 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -103.06 8.82 38.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.935 0.398 . . . . 10.0 110.614 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -101.24 129.43 47.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.112 -0.494 . . . . 10.0 110.75 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.445 ' HB3' ' HB ' ' A' ' 70' ' ' VAL . 32.8 ttt180 -126.51 98.38 5.39 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.661 -0.496 . . . . 10.0 109.661 178.34 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 65.9 mt -87.32 131.14 34.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.88 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 74.9 mt -125.43 133.71 68.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.526 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.405 ' HB3' HD21 ' A' ' 50' ' ' LEU . 80.7 t80 -126.93 115.88 19.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.106 -0.497 . . . . 10.0 109.846 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.18 23.46 13.66 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.861 -0.609 . . . . 10.0 112.215 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.21 -4.13 64.67 Favored Glycine 0 CA--C 1.517 0.199 0 C-N-CA 120.779 -0.724 . . . . 10.0 112.868 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -105.66 138.98 40.95 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.969 -0.382 . . . . 10.0 109.969 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -82.18 141.06 33.36 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.232 -0.284 . . . . 10.0 110.232 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.405 HD21 ' HB3' ' A' ' 45' ' ' PHE . 21.4 mt -93.3 128.67 39.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.608 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -88.71 144.84 26.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.458 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -63.95 -27.28 69.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.405 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.77 33.56 4.77 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.624 -0.798 . . . . 10.0 112.97 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.8 mmt-85 -132.7 162.29 31.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.816 0.308 . . . . 10.0 110.328 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.652 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 0.2 OUTLIER -98.34 164.57 12.24 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 179.491 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 23.1 mt -64.46 -39.04 93.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.916 0.388 . . . . 10.0 111.305 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 p -69.05 -16.09 63.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.041 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.652 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.0 OUTLIER -62.83 -31.66 72.71 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.093 0.473 . . . . 10.0 110.726 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -107.68 16.53 23.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.996 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.9 t30 62.66 26.27 15.57 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.231 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.6 mt -76.47 113.22 15.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.064 0.459 . . . . 10.0 110.244 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -108.68 -160.6 0.73 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.732 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.456 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 17.3 pttp -76.15 148.16 38.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.974 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 60.76 43.26 12.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.767 -0.651 . . . . 10.0 111.537 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.1 m -106.1 143.23 34.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.506 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 18.4 m -98.4 125.57 43.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.007 0.432 . . . . 10.0 111.203 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 mp -115.05 145.73 42.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.596 -0.729 . . . . 10.0 109.479 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -98.56 134.39 41.58 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.562 0.22 . . . . 10.0 110.467 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.8 tp -116.17 105.26 12.38 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.003 0.43 . . . . 10.0 110.832 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.445 ' HB ' ' HB3' ' A' ' 42' ' ' ARG . 42.2 t -97.05 133.32 39.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.728 179.329 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 66.4 mt -86.26 124.15 32.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.793 0.33 . . . . 10.0 111.091 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 -96.09 109.85 22.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.007 -0.542 . . . . 10.0 109.972 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 30.0 mt -107.84 141.49 39.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.043 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -122.89 18.83 10.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.365 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.52 12.25 54.23 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.829 -0.623 . . . . 10.0 112.665 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.174 0 CA-C-O 118.722 -1.043 . . . . 10.0 112.399 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.486 1.342 0 N-CA-C 109.886 -0.413 . . . . 10.0 109.886 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -119.15 152.09 37.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.03 0.443 . . . . 10.0 111.505 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 19.3 pt -130.62 162.03 39.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.533 -0.758 . . . . 10.0 110.064 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.49 ' O ' ' HA ' ' B' ' 66' ' ' THR . 80.1 m-85 -107.71 117.01 32.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.74 0.305 . . . . 10.0 110.908 -179.296 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 46.7 t -99.57 118.51 46.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.803 -0.443 . . . . 10.0 109.803 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -102.59 132.95 48.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.026 0.441 . . . . 10.0 111.049 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.89 154.23 22.42 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.552 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 61.7 mt -61.51 -20.22 62.96 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.764 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.51 4.14 22.32 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.597 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.12 46.43 10.33 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.717 -0.754 . . . . 10.0 111.436 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 13.4 tttp -126.18 141.15 52.05 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.081 -0.34 . . . . 10.0 110.081 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.6 m -125.44 115.47 20.32 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.329 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 22.2 mt -113.25 132.65 61.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.527 -0.306 . . . . 10.0 110.798 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.25 122.61 41.62 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.821 0.344 . . . . 10.0 110.178 178.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 66.0 mt -119.93 146.39 45.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.427 -0.351 . . . . 10.0 111.54 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -86.49 120.38 27.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.863 -0.608 . . . . 10.0 109.464 178.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 14.6 m -134.48 174.4 13.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.013 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.402 ' H ' ' HB2' ' B' ' 21' ' ' ASP . 6.5 mm-40 -130.81 160.04 68.41 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.273 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -62.44 -22.66 74.35 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.252 1.968 . . . . 10.0 112.006 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.67 9.95 42.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.939 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.402 ' HB2' ' H ' ' B' ' 18' ' ' GLU . 15.5 t0 -77.11 141.1 40.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.005 0.431 . . . . 10.0 110.723 -179.591 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 16.3 m -94.87 144.52 25.59 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.646 -0.706 . . . . 10.0 110.704 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.546 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 45.5 mm -53.88 -41.49 49.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.455 -0.339 . . . . 10.0 110.698 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -57.39 -39.72 76.7 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.647 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -67.44 -37.18 82.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.114 -0.494 . . . . 10.0 109.68 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 67.1 t -64.1 -39.19 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.87 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' B' ' 23' ' ' ILE . 9.9 mmmm -60.0 -41.39 91.98 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.838 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.66 -35.96 82.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.298 -0.864 . . . . 10.0 110.787 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.12 -46.25 84.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.344 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 61.8 mt -64.44 -36.92 78.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-O 121.294 0.569 . . . . 10.0 110.161 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -61.97 -38.25 87.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.751 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -77.19 -16.03 59.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.463 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -93.62 -62.26 1.39 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.909 0.337 . . . . 10.0 111.909 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -87.93 -21.22 25.04 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.648 0.61 . . . . 10.0 112.648 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.24 37.29 15.41 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.296 -0.954 . . . . 10.0 112.56 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.4 mt -114.33 126.32 28.13 Favored Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 109.967 -0.383 . . . . 10.0 109.967 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.517 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 50.2 Cg_exo -53.42 139.55 64.94 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.819 2.346 . . . . 10.0 112.568 179.461 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.517 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 16.7 Cg_exo -67.37 -5.75 14.71 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.295 2.663 . . . . 10.0 113.725 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -78.82 -43.43 25.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.059 0.457 . . . . 10.0 110.933 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.425 ' OE1' ' HB2' ' B' ' 37' ' ' PRO . 22.8 mp0 -82.53 -7.1 59.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.981 -0.554 . . . . 10.0 111.076 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -81.11 109.71 15.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.019 -0.537 . . . . 10.0 112.231 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -107.63 108.19 19.34 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.73 -0.841 . . . . 10.0 108.73 177.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 42.0 mt -90.31 119.36 30.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.904 0.383 . . . . 10.0 111.27 -178.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mp -116.33 142.2 30.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.901 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -134.38 108.86 8.41 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.297 -0.411 . . . . 10.0 110.09 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.65 19.34 11.27 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.852 -0.613 . . . . 10.0 112.205 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.28 -14.64 33.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.697 -0.763 . . . . 10.0 113.167 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -104.91 138.31 41.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.674 0.237 . . . . 10.0 110.369 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.409 HE21 ' HB3' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -81.58 144.21 31.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.8 0.333 . . . . 10.0 110.436 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 23.4 mt -95.12 126.68 40.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.957 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.528 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 17.6 mt-10 -73.71 138.25 44.54 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.878 -0.786 . . . . 10.0 108.878 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.32 -42.0 81.03 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.399 0.518 . . . . 10.0 112.399 -178.235 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.52 47.09 3.75 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.616 -0.802 . . . . 10.0 113.804 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.528 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 28.6 mmt180 -132.51 165.31 24.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.845 0.355 . . . . 10.0 110.353 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.4 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 1.8 m -97.74 156.73 16.43 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.925 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 55.0 mt -59.99 -48.25 82.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.987 0.422 . . . . 10.0 110.935 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.0 m -70.33 -7.93 46.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.588 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' B' ' 55' ' ' THR . 0.5 OUTLIER -69.81 -33.5 72.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.232 0.539 . . . . 10.0 109.569 179.324 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -100.17 14.7 29.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.444 -0.798 . . . . 10.0 110.396 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 65.52 24.28 11.82 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.466 -0.788 . . . . 10.0 111.4 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 86.4 mt -71.08 123.43 25.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.057 0.456 . . . . 10.0 109.813 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -110.75 -167.03 1.13 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.273 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -74.31 151.99 39.71 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.587 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 64.02 15.61 9.34 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.558 0.577 . . . . 10.0 112.558 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 40.0 m -75.32 146.24 41.12 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.071 -0.344 . . . . 10.0 110.071 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.49 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 4.5 m -99.44 117.36 33.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.074 0.464 . . . . 10.0 111.339 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.5 mp -99.71 128.84 45.8 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.628 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.432 ' CE1' ' HA ' ' D' ' 467' ' ' MET . 95.1 m-70 -89.91 114.31 26.08 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.485 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.0 tp -96.83 108.03 20.63 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.911 0.386 . . . . 10.0 110.654 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 90.2 t -102.22 128.08 55.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.218 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 79.8 mt -104.56 125.51 50.77 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.18 156.79 17.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.206 0.526 . . . . 10.0 111.481 -179.051 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 4.9 mp -126.52 110.17 12.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.864 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 39.5 ptt85 -116.17 16.84 15.9 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.945 0.402 . . . . 10.0 110.703 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.39 -8.24 60.32 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.29 -0.724 . . . . 10.0 111.29 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.194 0 CA-C-O 118.101 -1.388 . . . . 10.0 111.082 179.82 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 120.472 0.177 . . . . 10.0 110.852 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 68.7 16.5 8.97 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.343 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.09 -45.75 87.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.75 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -67.95 -37.56 81.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.517 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 57.6 mt -66.32 -41.95 88.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.689 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -64.75 -40.17 94.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.068 0.461 . . . . 10.0 110.47 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -67.4 -42.35 83.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.622 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 37.1 mtm -65.65 -39.55 91.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.9 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.87 -37.64 85.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.742 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 462' ' ' HIS . . . . . 0.474 ' O ' ' HG3' ' D' ' 466' ' ' GLU . 69.0 t60 -58.25 -44.4 88.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.107 179.238 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 463' ' ' GLN . . . . . 0.485 ' O ' ' HG2' ' D' ' 467' ' ' MET . 26.4 tp60 -60.06 -40.58 89.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.657 -0.701 . . . . 10.0 110.883 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 464' ' ' ILE . . . . . 0.463 HD11 ' HA ' ' D' ' 486' ' ' VAL . 69.7 mt -72.4 -40.02 63.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.075 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 43.0 tp60 -59.43 -28.17 66.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.755 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 466' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' D' ' 462' ' ' HIS . 22.3 mt-10 -76.3 -21.27 56.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.663 179.442 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 467' ' ' MET . . . . . 0.485 ' HG2' ' O ' ' D' ' 463' ' ' GLN . 34.9 mmm -89.41 -33.46 16.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.443 0.639 . . . . 10.0 109.754 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 468' ' ' PHE . . . . . 0.416 ' O ' HG12 ' D' ' 471' ' ' VAL . 4.6 m-85 -128.37 85.11 61.27 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.627 -0.715 . . . . 10.0 110.741 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -82.76 31.24 0.52 Allowed 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.72 2.28 . . . . 10.0 112.397 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -135.15 14.45 3.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.083 -179.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 471' ' ' VAL . . . . . 0.416 HG12 ' O ' ' D' ' 468' ' ' PHE . 10.5 p -121.17 132.42 24.22 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.351 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 472' ' ' PRO . . . . . 0.456 ' HB3' ' CE1' ' D' ' 474' ' ' HIS . 58.1 Cg_exo -53.16 120.71 8.15 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.687 2.258 . . . . 10.0 112.432 179.177 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -54.8 -37.5 66.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.332 -0.849 . . . . 10.0 112.614 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 474' ' ' HIS . . . . . 0.456 ' CE1' ' HB3' ' D' ' 472' ' ' PRO . 49.5 p-80 -65.7 -27.82 68.62 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 121.051 -0.26 . . . . 10.0 111.491 -179.241 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 74.6 mt -79.08 -32.52 44.73 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.923 -0.399 . . . . 10.0 109.923 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 51.6 t -64.66 -42.73 95.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.466 0.651 . . . . 10.0 109.487 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 47.1 mt -63.79 -25.88 68.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.764 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -69.04 -47.1 66.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.344 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -67.44 -32.58 73.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.344 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.29 -24.33 66.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.714 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -95.91 3.46 53.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.462 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -112.62 -54.81 2.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.238 -179.461 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 67.3 p -92.79 -39.92 10.96 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.836 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 65.35 35.86 7.27 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.449 -0.796 . . . . 10.0 111.354 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 1.7 t -147.79 123.4 10.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.997 -0.547 . . . . 10.0 109.828 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 486' ' ' VAL . . . . . 0.463 ' HA ' HD11 ' D' ' 464' ' ' ILE . 15.6 m -60.61 -32.98 52.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.975 0.417 . . . . 10.0 111.124 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -68.03 -47.93 67.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.664 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 488' ' ' ILE . . . . . 0.42 ' O ' ' HB2' ' D' ' 492' ' ' ASN . 61.2 mt -71.99 -43.52 67.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.762 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 52.0 m -54.88 -51.98 64.27 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.109 0.411 . . . . 10.0 112.109 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 4.2 m -60.74 -41.93 96.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.601 -178.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -70.89 -36.91 72.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.963 0.411 . . . . 10.0 110.49 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 492' ' ' ASN . . . . . 0.443 ' ND2' ' HG2' ' D' ' 497' ' ' ARG . 5.3 t30 -56.1 -41.96 76.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.659 -0.7 . . . . 10.0 109.463 178.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 75.1 mt -67.12 -40.71 85.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.723 -0.672 . . . . 10.0 110.03 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -37.36 85.11 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.97 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -71.75 -21.12 61.79 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.136 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 101.94 26.93 7.25 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.7 -0.762 . . . . 10.0 112.939 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 497' ' ' ARG . . . . . 0.443 ' HG2' ' ND2' ' D' ' 492' ' ' ASN . 17.1 tpp180 -72.69 -43.0 63.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.31 0.576 . . . . 10.0 109.891 179.015 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 2.6 mp -96.14 130.93 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-N 115.221 -0.9 . . . . 10.0 108.94 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -67.56 126.53 29.63 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.051 0.453 . . . . 10.0 111.329 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 30.1 m -78.79 161.58 68.45 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.453 -0.794 . . . . 10.0 109.5 178.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.93 102.25 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.701 2.268 . . . . 10.0 112.371 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -97.28 131.65 27.0 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.56 -0.745 . . . . 10.0 110.16 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -63.34 93.78 0.16 Allowed 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.777 2.318 . . . . 10.0 112.587 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 13.9 t . . . . . 0 C--O 1.252 1.202 0 CA-C-O 118.058 -0.972 . . . . 10.0 109.585 179.555 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 110.178 -0.304 . . . . 10.0 110.178 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -108.55 144.6 36.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.796 0.332 . . . . 10.0 111.322 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.4 pt -130.72 162.37 38.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.857 -0.611 . . . . 10.0 109.446 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -117.34 109.95 17.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.675 0.274 . . . . 10.0 110.723 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 49.4 t -98.14 116.67 41.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.002 0.429 . . . . 10.0 110.02 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -99.5 125.99 45.35 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.011 0.434 . . . . 10.0 111.222 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.567 HG22 HD23 ' A' ' 69' ' ' LEU . 21.5 p -93.08 149.12 21.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.253 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.6 mt -65.74 -13.65 59.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 10.0 111.055 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.63 -24.89 58.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.751 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.7 44.28 1.15 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.75 -0.738 . . . . 10.0 112.789 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -142.47 138.13 30.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.778 0.323 . . . . 10.0 111.074 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.9 123.91 45.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.106 -0.497 . . . . 10.0 109.968 178.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.4 mt -105.8 134.98 45.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.993 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.28 128.61 45.42 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.625 178.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.6 mt -131.85 134.7 46.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.015 0.435 . . . . 10.0 111.719 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.3 102.29 14.96 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.461 -0.94 . . . . 10.0 108.461 178.105 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.9 m -127.32 -179.31 2.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.151 -0.477 . . . . 10.0 111.023 -178.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.491 ' O ' HD12 ' A' ' 56' ' ' LEU . 8.3 mm-40 -143.23 161.03 49.91 Favored Pre-proline 0 C--N 1.321 -0.657 0 N-CA-C 108.996 -0.742 . . . . 10.0 108.996 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -56.04 -26.18 58.04 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.342 2.028 . . . . 10.0 112.927 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -88.8 8.04 31.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.758 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -85.53 140.49 30.6 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.962 -0.384 . . . . 10.0 109.962 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.481 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.8 p -94.11 152.05 19.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.653 -179.403 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.6 mm -58.51 -35.6 55.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.002 0.43 . . . . 10.0 110.026 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -41.84 98.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.19 178.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -69.65 -37.81 76.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.433 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 22' ' ' THR . 95.5 t -63.23 -39.34 84.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.889 178.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.408 ' HB3' ' HB3' ' A' ' 38' ' ' PRO . 80.9 mttt -60.25 -41.96 94.3 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.763 179.185 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.62 -34.34 76.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.394 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -68.38 -36.24 78.88 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.329 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 68.1 mt -70.04 -35.48 64.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.43 -0.582 . . . . 10.0 109.43 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.502 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 22.0 tt0 -69.32 -26.4 64.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.592 -0.731 . . . . 10.0 109.845 179.003 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -77.17 -38.99 50.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.567 -0.742 . . . . 10.0 111.167 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -87.02 -57.79 2.83 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.751 0.648 . . . . 10.0 112.751 -178.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -86.55 -23.36 25.86 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.274 0.472 . . . . 10.0 112.274 -177.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.502 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 82.12 15.05 75.62 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.355 -0.926 . . . . 10.0 113.1 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.0 mt -85.54 123.15 73.11 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 110.304 -0.258 . . . . 10.0 110.304 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -55.73 131.43 46.05 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.683 2.255 . . . . 10.0 112.239 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.408 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 50.0 Cg_exo -55.74 -26.31 55.86 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 123.09 2.527 . . . . 10.0 112.489 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -69.04 -18.89 64.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.563 -0.744 . . . . 10.0 111.333 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -109.21 5.35 23.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.546 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -93.84 126.64 39.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.884 -179.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.5 mtt180 -127.41 102.0 6.7 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.957 -0.757 . . . . 10.0 108.957 177.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.0 mt -90.15 124.2 34.63 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.603 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mp -116.77 128.84 74.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.67 -0.695 . . . . 10.0 109.644 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.573 ' HB3' HD21 ' A' ' 50' ' ' LEU . 70.2 t80 -124.19 116.45 22.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.173 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.7 18.09 9.3 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.754 -0.657 . . . . 10.0 112.072 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.26 -11.02 51.3 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.813 -0.708 . . . . 10.0 112.89 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -102.07 136.98 40.95 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.079 -0.341 . . . . 10.0 110.079 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -80.94 131.98 35.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.032 0.444 . . . . 10.0 110.582 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.573 HD21 ' HB3' ' A' ' 45' ' ' PHE . 21.9 mt -86.26 125.48 33.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.737 -179.541 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.508 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 41.8 mt-10 -83.52 150.69 25.82 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.887 -0.412 . . . . 10.0 109.887 179.018 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.53 -41.91 91.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.432 -0.349 . . . . 10.0 111.606 -179.228 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.8 45.12 3.46 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.929 -0.653 . . . . 10.0 113.124 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.508 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 21.8 mmt180 -133.3 159.21 40.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.719 0.295 . . . . 10.0 110.257 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.411 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -104.55 157.9 16.85 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.906 179.247 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.491 HD12 ' O ' ' A' ' 18' ' ' GLU . 61.7 mt -62.52 -33.82 75.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.025 0.441 . . . . 10.0 111.079 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.73 -24.55 62.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.099 -0.501 . . . . 10.0 111.064 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 55' ' ' THR . 31.2 m-20 -62.69 -31.73 72.68 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.19 -179.486 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -104.33 10.33 35.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.618 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 59.18 41.44 20.29 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.793 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 77.3 mt -85.18 112.93 22.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.118 -0.492 . . . . 10.0 109.803 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -100.65 -166.98 1.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.243 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -76.92 151.12 35.87 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.837 0.351 . . . . 10.0 110.982 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 68.76 19.8 8.32 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.589 -0.732 . . . . 10.0 111.692 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.9 m -86.75 147.93 25.64 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.981 -0.378 . . . . 10.0 109.981 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.9 m -101.95 131.1 48.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.026 0.441 . . . . 10.0 111.511 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -115.79 139.28 50.32 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.934 -0.765 . . . . 10.0 108.934 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -99.98 126.71 46.19 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.765 0.316 . . . . 10.0 110.478 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.567 HD23 HG22 ' A' ' 7' ' ' THR . 43.5 tp -105.83 110.41 22.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.326 0.584 . . . . 10.0 110.607 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.4 t -100.53 132.96 45.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.428 -0.806 . . . . 10.0 110.019 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 78.0 mt -92.86 126.35 37.9 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.856 -0.424 . . . . 10.0 109.856 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -101.11 114.17 27.86 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.023 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 66.9 mt -98.97 135.03 40.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.977 -0.556 . . . . 10.0 109.512 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.629 ' HD3' ' O ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -116.2 9.92 14.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.995 0.426 . . . . 10.0 110.918 -179.514 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -179.42 109.17 0.26 Allowed Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.455 -0.879 . . . . 10.0 112.371 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.152 0 CA-C-O 118.344 -1.253 . . . . 10.0 111.533 179.618 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.451 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 26.1 ptt? . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 110.091 -0.337 . . . . 10.0 110.091 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -102.81 139.02 38.94 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.38 -0.373 . . . . 10.0 111.437 -178.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 23.4 pt -124.94 164.17 24.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.403 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.467 ' O ' ' HA ' ' B' ' 66' ' ' THR . 64.2 m-85 -118.95 110.51 17.22 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.972 0.415 . . . . 10.0 110.866 -179.577 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 43.2 t -98.16 121.37 48.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 109.812 -0.44 . . . . 10.0 109.812 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -104.16 135.25 46.0 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.011 0.434 . . . . 10.0 111.097 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.5 p -99.77 169.15 9.45 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.915 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 56.1 mt -76.4 -1.29 26.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.153 0.501 . . . . 10.0 110.349 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.61 -27.93 16.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.482 179.095 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.75 3.12 23.75 Favored Glycine 0 C--N 1.333 0.374 0 C-N-CA 121.043 -0.598 . . . . 10.0 112.189 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 41.7 tttt -86.2 133.45 33.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.618 0.247 . . . . 10.0 110.766 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.2 m -102.27 115.41 30.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.27 -0.423 . . . . 10.0 109.905 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 15.9 mt -99.65 121.23 50.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.264 -0.426 . . . . 10.0 111.366 -179.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.39 131.35 36.93 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 178.625 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 56.1 mt -138.45 146.93 42.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.049 0.452 . . . . 10.0 112.032 -178.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -98.18 116.27 30.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.187 -0.915 . . . . 10.0 109.287 178.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.451 ' O ' ' HG2' ' B' ' 1' ' ' MET . 4.6 m -141.06 154.67 21.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.374 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -106.81 151.64 40.61 Favored Pre-proline 0 C--N 1.319 -0.734 0 N-CA-C 109.395 -0.594 . . . . 10.0 109.395 178.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.67 -25.32 41.35 Favored 'Trans proline' 0 CA--C 1.533 0.435 0 C-N-CA 122.809 2.34 . . . . 10.0 113.172 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.81 4.71 48.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.409 -0.36 . . . . 10.0 111.932 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -78.75 151.73 31.9 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.72 0.295 . . . . 10.0 110.388 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.9 m -95.04 143.8 26.22 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.559 -178.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.43 HG12 ' O ' ' B' ' 54' ' ' ARG . 46.8 mm -53.21 -40.74 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 C-N-CA 122.474 0.31 . . . . 10.0 111.347 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -58.8 -35.6 73.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.906 0.384 . . . . 10.0 110.778 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.45 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 65.8 t30 -75.01 -35.29 61.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.049 0.452 . . . . 10.0 110.265 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 58.8 t -62.3 -48.22 89.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.326 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -69.5 -24.83 63.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.543 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.43 -32.14 70.92 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 178.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 95.9 mttt -71.27 -34.4 70.65 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.132 -0.692 . . . . 10.0 109.132 178.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 39.8 mt -70.36 -28.31 34.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 178.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -65.75 -23.45 66.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.491 -0.777 . . . . 10.0 109.949 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -92.51 -44.48 8.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.284 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 38.8 tttt -66.69 -43.12 85.25 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.714 -0.676 . . . . 10.0 111.663 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -101.31 -48.09 4.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.706 0.289 . . . . 10.0 111.184 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.62 -12.99 22.96 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.616 -0.802 . . . . 10.0 111.892 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 33.1 mt -68.26 125.79 91.96 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.565 -0.318 . . . . 10.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.466 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 51.8 Cg_exo -55.87 146.99 64.68 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 122.967 2.445 . . . . 10.0 112.413 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 27.9 Cg_exo -60.99 -24.77 80.31 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.765 2.31 . . . . 10.0 113.023 -179.418 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.22 -23.72 63.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.0 0.429 . . . . 10.0 111.117 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -101.95 6.62 41.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.167 -0.47 . . . . 10.0 111.047 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -103.86 104.63 14.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.615 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.419 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 6.1 ttt180 -103.9 106.53 17.07 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.647 -0.871 . . . . 10.0 108.647 178.214 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 65.5 mt -95.21 127.4 41.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.166 0.508 . . . . 10.0 111.775 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.6 mp -126.35 140.31 49.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.463 -0.79 . . . . 10.0 110.124 179.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.621 ' HB3' HD21 ' B' ' 50' ' ' LEU . 78.4 t80 -132.81 118.7 19.32 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.526 -0.546 . . . . 10.0 109.526 179.106 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.69 32.82 22.58 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.242 0.544 . . . . 10.0 111.186 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.08 -11.38 62.9 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.921 -0.657 . . . . 10.0 112.662 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -92.86 129.22 38.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.698 0.249 . . . . 10.0 110.502 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -75.52 132.56 40.82 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.621 HD21 ' HB3' ' B' ' 45' ' ' PHE . 22.3 mt -89.44 122.75 32.94 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.564 0.221 . . . . 10.0 111.509 -178.65 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.492 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 16.7 mt-10 -74.12 142.71 45.54 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.607 -0.516 . . . . 10.0 109.607 178.431 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.61 -37.12 72.74 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.363 0.505 . . . . 10.0 112.363 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.71 32.64 5.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 10.0 114.616 -177.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.492 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 19.6 mmt180 -123.53 168.04 13.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.837 0.819 . . . . 10.0 109.996 178.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 23.0 p -105.83 174.11 6.02 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.748 0.309 . . . . 10.0 110.454 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 89.9 mt -68.25 -47.72 66.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.973 0.416 . . . . 10.0 111.135 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -61.03 -26.59 67.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.107 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -62.86 -27.44 69.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.521 -0.763 . . . . 10.0 111.386 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -109.65 13.81 23.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.184 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 68.64 21.99 7.72 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 123.757 0.66 . . . . 10.0 111.501 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 59.2 mt -78.09 117.05 22.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.426 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -107.94 -168.04 1.32 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.057 -0.52 . . . . 10.0 109.969 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 56.8 pttt -74.02 153.06 39.85 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.88 -0.328 . . . . 10.0 110.558 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 66.89 14.02 9.66 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.75 0.656 . . . . 10.0 112.404 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 16.1 m -81.97 144.59 30.8 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.989 -0.284 . . . . 10.0 110.276 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 46.6 m -96.03 131.57 42.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.961 0.41 . . . . 10.0 110.927 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 mp -113.2 134.9 54.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.106 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -87.89 122.39 31.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.1 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 38.5 tp -106.64 108.09 19.42 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.022 0.439 . . . . 10.0 110.695 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.419 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 78.3 t -98.75 121.75 49.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.712 -0.677 . . . . 10.0 110.162 179.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 55.9 mt -89.61 122.07 32.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.019 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.94 165.32 13.24 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.985 0.421 . . . . 10.0 111.111 -179.54 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.43 HD13 HG12 ' D' ' 488' ' ' ILE . 6.4 mp -118.42 131.98 56.26 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.988 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -104.65 -21.36 13.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.74 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 157.01 178.75 31.38 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.912 -0.661 . . . . 10.0 111.764 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.077 -1.402 . . . . 10.0 111.274 179.609 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 110.263 -0.273 . . . . 10.0 110.263 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 58.33 32.72 22.41 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.502 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.78 -46.64 68.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.239 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 47.2 mm-40 -67.69 -33.13 74.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.412 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 86.4 mt -66.8 -39.19 87.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.194 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -66.56 -42.4 87.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.935 0.397 . . . . 10.0 109.948 179.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -60.74 -41.23 94.95 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.888 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 43.6 mtm -70.68 -41.21 72.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.775 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.42 -42.87 95.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.733 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -61.49 -30.76 70.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.601 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -63.58 -40.85 98.0 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.724 -0.473 . . . . 10.0 109.724 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 52.8 mt -73.83 -40.02 52.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.078 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -60.53 -25.44 66.13 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.796 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -75.84 -33.3 60.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.661 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 35.0 mmm -81.16 -45.05 16.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.687 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 468' ' ' PHE . . . . . 0.473 ' O ' HG12 ' D' ' 471' ' ' VAL . 61.7 m-85 -126.12 99.63 31.13 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.242 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -87.1 -1.21 7.9 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.823 2.349 . . . . 10.0 113.187 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 16.6 pm0 -88.84 1.82 54.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.762 0.315 . . . . 10.0 111.459 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 471' ' ' VAL . . . . . 0.473 HG12 ' O ' ' D' ' 468' ' ' PHE . 13.8 p -103.28 134.7 19.62 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.591 -0.277 . . . . 10.0 110.432 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 472' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' D' ' 471' ' ' VAL . 31.3 Cg_exo -60.92 121.3 9.48 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.364 2.043 . . . . 10.0 111.476 178.504 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -52.98 -38.93 62.62 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.679 -0.691 . . . . 10.0 112.564 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -65.68 -29.78 70.38 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.081 -0.248 . . . . 10.0 111.41 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 475' ' ' LEU . . . . . 0.446 HD13 HG23 ' D' ' 498' ' ' ILE . 35.0 mt -78.19 -27.46 47.94 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.919 -0.4 . . . . 10.0 109.919 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 43.3 t -69.76 -41.79 80.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.032 -0.729 . . . . 10.0 109.032 178.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 80.1 mt -63.91 -30.16 71.27 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.431 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -59.47 -56.47 21.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.944 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 479' ' ' ASP . . . . . 0.505 ' HB3' HG23 ' D' ' 489' ' ' THR . 8.7 t70 -66.49 -30.56 70.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.038 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.5 -31.82 71.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.787 0.327 . . . . 10.0 110.414 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -92.77 5.39 51.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.418 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -113.3 -47.03 3.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.333 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 72.1 p -102.87 -35.95 8.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.644 0.259 . . . . 10.0 111.569 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? 64.96 33.16 10.05 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.151 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 10.3 t -142.88 118.05 10.13 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.876 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 486' ' ' VAL . . . . . 0.412 HG22 ' H ' ' D' ' 486' ' ' VAL . 0.2 OUTLIER -57.44 -34.97 47.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.979 0.419 . . . . 10.0 110.364 179.642 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -62.15 -54.74 36.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.417 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 488' ' ' ILE . . . . . 0.43 HG12 HD13 ' B' ' 73' ' ' LEU . 66.0 mt -63.91 -45.65 96.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.409 -179.286 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 489' ' ' THR . . . . . 0.505 HG23 ' HB3' ' D' ' 479' ' ' ASP . 93.1 m -56.56 -50.65 71.26 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.095 0.406 . . . . 10.0 112.095 -179.373 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 10.5 m -61.16 -43.22 99.23 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.461 0.172 . . . . 10.0 111.406 -179.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -67.67 -42.37 82.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.112 0.482 . . . . 10.0 109.879 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -53.87 -42.5 68.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.385 -0.825 . . . . 10.0 110.854 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 85.5 mt -64.5 -46.07 93.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.626 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -22.2 65.25 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.997 0.427 . . . . 10.0 110.753 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -80.22 -40.13 27.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.097 0.475 . . . . 10.0 110.439 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 130.03 10.91 2.68 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.255 -0.974 . . . . 10.0 113.262 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 -64.36 -40.5 95.97 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.731 0.777 . . . . 10.0 109.042 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 498' ' ' ILE . . . . . 0.446 HG23 HD13 ' D' ' 475' ' ' LEU . 1.7 mp -100.0 125.82 53.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 114.904 -1.044 . . . . 10.0 108.264 178.438 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -72.77 122.26 21.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.885 0.374 . . . . 10.0 110.574 -179.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 26.2 m -71.77 157.83 88.94 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.47 -0.787 . . . . 10.0 110.521 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -50.17 111.5 0.54 Allowed 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.815 2.343 . . . . 10.0 112.767 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -121.52 144.46 40.33 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.031 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 503' ' ' PRO . . . . . 0.433 ' HG3' ' O ' ' A' ' 7' ' ' THR . 24.6 Cg_endo -62.22 131.73 35.69 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.573 2.182 . . . . 10.0 112.051 179.548 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.251 1.156 0 CA-C-O 118.466 -0.778 . . . . 10.0 109.948 -179.951 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 21.6 ptt? . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 109.984 -0.376 . . . . 10.0 109.984 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -98.48 134.77 40.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.51 -0.314 . . . . 10.0 110.827 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.8 pt -123.1 160.06 26.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.13 -0.487 . . . . 10.0 109.889 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -115.44 115.51 26.66 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.85 0.357 . . . . 10.0 111.094 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.3 t -107.42 122.42 61.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.513 -0.551 . . . . 10.0 109.513 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -105.6 139.62 39.93 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.207 0.527 . . . . 10.0 111.345 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.53 -178.25 3.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.551 -0.749 . . . . 10.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 35.0 mt -65.11 -29.0 69.82 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.255 -0.43 . . . . 10.0 111.115 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.19 1.21 25.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.267 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.18 9.49 86.99 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.897 -0.668 . . . . 10.0 111.91 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -77.45 123.38 26.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.693 0.282 . . . . 10.0 110.322 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -95.99 115.88 28.1 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.3 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.5 mp -105.94 123.23 60.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.546 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 m -90.01 130.97 36.13 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.1 mt -129.85 150.69 51.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.808 0.337 . . . . 10.0 110.993 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -101.58 113.08 25.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.681 -0.69 . . . . 10.0 109.724 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.455 ' O ' ' HG2' ' A' ' 1' ' ' MET . 3.2 m -142.02 153.49 18.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.812 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.543 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 65.0 mm-40 -107.88 160.8 25.51 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 108.91 -0.774 . . . . 10.0 108.91 178.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.436 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 50.7 Cg_exo -55.34 -24.55 43.25 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.34 2.027 . . . . 10.0 113.041 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.9 -3.02 59.03 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.788 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.543 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.3 OUTLIER -69.16 130.01 41.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.803 0.335 . . . . 10.0 110.729 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.525 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -79.48 144.64 33.82 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.503 -0.555 . . . . 10.0 109.503 178.906 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.9 mm -54.68 -42.18 59.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.731 0.3 . . . . 10.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -59.15 -40.9 86.99 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.118 0.485 . . . . 10.0 110.207 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -65.72 -38.52 89.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.853 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 22' ' ' THR . 44.3 t -65.09 -42.91 95.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.014 179.156 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -62.9 -35.06 78.82 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.537 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.05 -36.7 84.88 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.985 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -66.25 -34.42 77.96 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.935 179.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 55.1 mt -70.49 -34.82 59.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.25 0.547 . . . . 10.0 109.563 178.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -70.44 -35.53 73.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.095 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -72.65 -33.55 66.66 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.764 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -86.25 -61.62 1.7 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.853 -0.612 . . . . 10.0 112.174 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -81.9 -46.12 14.52 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.784 0.291 . . . . 10.0 111.784 -178.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.99 -13.31 17.03 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.443 -0.884 . . . . 10.0 112.548 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 29.1 mt -64.03 123.25 81.44 Favored Pre-proline 0 C--N 1.325 -0.478 0 C-N-CA 121.968 0.107 . . . . 10.0 110.918 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.51 133.1 49.75 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.683 2.255 . . . . 10.0 111.768 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.31 -21.44 52.73 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 123.227 2.618 . . . . 10.0 112.866 -179.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.99 -32.61 73.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.136 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -100.74 3.72 42.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.535 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -86.26 126.57 34.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.927 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -123.62 95.59 4.64 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 178.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 39.8 mt -83.84 123.78 30.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.937 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 81.6 mt -120.19 129.19 75.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.648 -0.706 . . . . 10.0 110.262 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -119.8 111.2 17.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.131 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.58 22.36 12.14 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.684 -0.689 . . . . 10.0 111.742 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.18 -13.14 55.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.873 -0.679 . . . . 10.0 112.521 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -93.29 131.59 38.27 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.547 0.213 . . . . 10.0 110.623 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -82.23 127.86 33.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.429 -0.351 . . . . 10.0 110.206 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.0 mt -83.35 129.16 34.98 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.812 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.478 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 39.8 mt-10 -84.27 164.32 19.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.193 179.26 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -62.27 -57.55 10.98 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.277 -0.419 . . . . 10.0 112.012 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.32 60.85 4.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.848 -0.691 . . . . 10.0 113.844 -178.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.478 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 24.4 mmt180 -138.33 158.33 44.49 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 178.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.552 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 33.2 p -107.17 172.87 6.58 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.697 -0.482 . . . . 10.0 109.697 178.729 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.436 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 20.4 mt -66.93 -33.56 75.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.076 0.465 . . . . 10.0 110.448 179.301 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.3 m -70.14 -16.27 63.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.888 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.552 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.8 OUTLIER -67.87 -21.7 65.15 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.014 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -122.35 13.56 10.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.986 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.8 t30 59.28 37.02 23.76 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.595 0.712 . . . . 10.0 110.897 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.2 mt -76.82 120.94 28.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.136 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -110.37 -161.2 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.452 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -79.74 151.56 30.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.579 -0.282 . . . . 10.0 110.3 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 66.48 22.2 10.7 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.305 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.1 m -77.53 146.8 36.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.856 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 m -109.16 123.21 48.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.026 -0.533 . . . . 10.0 110.642 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mp -114.99 141.99 47.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.308 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -101.6 123.96 46.48 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.172 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.6 tp -103.63 102.42 12.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.072 0.463 . . . . 10.0 110.494 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.7 t -94.12 133.01 36.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.888 -0.597 . . . . 10.0 109.742 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.7 mt -95.27 144.16 26.07 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.267 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -111.53 121.37 45.0 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.256 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 30.9 mt -104.15 149.92 24.81 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.206 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.564 ' HA ' ' NE ' ' A' ' 74' ' ' ARG . 2.0 mmp_? -135.31 116.24 14.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.024 0.44 . . . . 10.0 110.435 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.44 -70.81 0.62 Allowed Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.806 -0.634 . . . . 10.0 111.716 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.409 -1.217 . . . . 10.0 112.29 179.62 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.532 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 22.9 ptt? . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 110.223 -0.288 . . . . 10.0 110.223 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -110.67 140.84 44.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.567 0.222 . . . . 10.0 110.775 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 28.8 pt -134.31 157.88 41.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.433 -0.58 . . . . 10.0 109.433 178.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -114.49 115.55 27.42 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.259 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 52.1 t -99.64 123.86 52.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.618 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 19.5 tttp -102.9 141.85 35.0 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.162 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.6 p -113.48 170.28 8.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.71 0.29 . . . . 10.0 111.225 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 52.0 mt -72.0 -17.56 62.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.293 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.34 -11.49 51.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.038 0.447 . . . . 10.0 110.583 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.65 9.57 59.88 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.903 -0.665 . . . . 10.0 112.6 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -84.91 127.08 34.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.805 0.336 . . . . 10.0 110.719 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -91.11 109.5 20.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.311 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.1 mt -100.38 123.34 53.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.295 -0.412 . . . . 10.0 111.105 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.4 132.91 38.54 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.539 -0.541 . . . . 10.0 109.539 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 27.3 mt -136.54 141.33 43.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.139 0.495 . . . . 10.0 111.748 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -99.21 114.78 27.75 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.299 -0.864 . . . . 10.0 108.821 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.532 ' O ' ' HG2' ' B' ' 1' ' ' MET . 3.9 m -142.5 163.82 17.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.509 -179.029 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.421 ' O ' HD12 ' B' ' 56' ' ' LEU . 65.1 mm-40 -113.21 156.46 42.98 Favored Pre-proline 0 C--N 1.315 -0.914 0 N-CA-C 109.057 -0.72 . . . . 10.0 109.057 178.455 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.41 -38.32 73.58 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.153 1.902 . . . . 10.0 112.521 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.5 m -84.56 6.96 21.67 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.474 0.546 . . . . 10.0 112.474 -178.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -76.54 131.45 38.97 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 179.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.84 143.93 47.65 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.507 -0.315 . . . . 10.0 111.104 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 48.8 mm -57.92 -34.87 49.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.592 -0.521 . . . . 10.0 109.592 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -57.86 -37.64 74.28 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.277 -0.874 . . . . 10.0 110.691 178.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -73.48 -33.08 64.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.717 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 42.7 t -64.23 -39.92 87.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.515 178.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -59.87 -39.41 85.15 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.394 0.616 . . . . 10.0 109.88 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.93 -35.33 78.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.367 -0.833 . . . . 10.0 110.712 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -66.62 -38.09 86.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.154 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 66.5 mt -71.41 -34.4 53.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.952 -0.758 . . . . 10.0 108.952 178.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -66.88 -32.58 73.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.035 -0.984 . . . . 10.0 110.281 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -78.67 -35.75 44.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.159 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -81.68 -67.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.314 0.487 . . . . 10.0 112.314 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -75.31 -33.88 61.22 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.38 0.511 . . . . 10.0 112.38 -177.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.22 37.66 8.18 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.315 -0.945 . . . . 10.0 112.283 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.9 mt -111.69 125.37 30.48 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 109.846 -0.427 . . . . 10.0 109.846 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 50.0 Cg_exo -52.94 136.28 60.05 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.754 2.303 . . . . 10.0 112.458 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 45.5 Cg_exo -56.36 -25.41 56.92 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 123.052 2.501 . . . . 10.0 112.579 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -67.09 -17.67 64.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.391 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -112.0 12.12 20.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.779 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -106.3 125.67 51.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.401 -0.363 . . . . 10.0 111.447 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -129.48 102.22 6.3 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 178.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 28.6 mt -85.61 126.88 34.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.81 -178.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -124.39 134.82 65.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.576 -0.738 . . . . 10.0 110.07 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.406 ' HB3' HD21 ' B' ' 50' ' ' LEU . 59.6 t80 -116.88 99.44 7.09 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.863 -0.421 . . . . 10.0 109.863 179.078 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.82 34.97 24.05 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.789 -0.641 . . . . 10.0 111.537 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.51 -11.75 63.15 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.707 -0.759 . . . . 10.0 113.205 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -96.02 120.72 36.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.868 0.334 . . . . 10.0 110.433 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.41 129.97 38.77 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.784 -0.45 . . . . 10.0 109.784 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.406 HD21 ' HB3' ' B' ' 45' ' ' PHE . 11.1 mt -93.35 134.09 35.93 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.535 -179.316 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.496 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 30.3 mt-10 -88.76 143.66 26.77 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.647 -0.501 . . . . 10.0 109.647 178.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.83 -38.33 75.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.707 -179.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.55 34.55 2.91 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.054 -0.593 . . . . 10.0 113.694 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.496 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 19.5 mmt180 -135.86 164.91 26.85 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 179.169 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 64.3 p -105.76 169.54 8.42 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.881 -0.415 . . . . 10.0 109.881 179.032 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.421 HD12 ' O ' ' B' ' 18' ' ' GLU . 71.9 mt -66.35 -36.25 82.4 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.919 0.39 . . . . 10.0 110.711 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.12 -8.7 56.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.709 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' B' ' 55' ' ' THR . 3.3 m-20 -75.74 -25.74 56.82 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.146 0.498 . . . . 10.0 110.401 179.183 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -107.91 20.31 18.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.877 -0.601 . . . . 10.0 112.216 -178.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.6 t30 66.16 26.94 10.51 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.693 0.62 . . . . 10.0 111.67 178.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.3 mt -82.73 137.54 20.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.253 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -122.24 -164.07 1.13 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.203 -0.453 . . . . 10.0 109.97 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 31.2 pttt -80.6 154.84 27.19 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.715 -0.394 . . . . 10.0 110.641 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 64.07 18.89 11.5 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.667 -0.697 . . . . 10.0 112.207 178.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 32.5 m -86.3 145.35 26.96 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.97 0.414 . . . . 10.0 110.793 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 15.7 m -94.78 133.4 38.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.851 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 mp -118.05 153.45 33.69 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.306 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -108.92 126.52 53.16 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.521 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.7 tp -104.5 106.64 17.21 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.084 0.468 . . . . 10.0 110.608 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 79.1 t -87.98 114.62 26.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.439 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 98.1 mt -84.85 119.78 25.71 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.602 -0.518 . . . . 10.0 109.602 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.461 ' HG3' ' OD1' ' D' ' 491' ' ' ASP . 0.4 OUTLIER -112.75 135.96 52.9 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.934 0.397 . . . . 10.0 111.233 -178.876 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.92 147.97 37.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.955 -0.566 . . . . 10.0 109.647 179.283 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.505 ' HA ' ' NE ' ' B' ' 74' ' ' ARG . 10.4 mmp_? -107.5 -25.43 11.39 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.751 0.31 . . . . 10.0 111.065 -179.662 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -138.71 -75.89 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.742 -0.742 . . . . 10.0 111.354 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.184 0 CA-C-O 118.214 -1.326 . . . . 10.0 111.421 179.791 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 453' ' ' SER . . . . . 0.411 ' HB2' ' OG ' ' D' ' 455' ' ' SER . 0.3 OUTLIER . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.691 0.281 . . . . 10.0 111.382 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 40.8 m-20 62.85 17.56 10.04 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 122.743 0.417 . . . . 10.0 111.798 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 455' ' ' SER . . . . . 0.411 ' OG ' ' HB2' ' D' ' 453' ' ' SER . 0.7 OUTLIER -66.9 -39.64 87.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.009 0.433 . . . . 10.0 110.397 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -62.38 -45.12 94.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.648 -0.705 . . . . 10.0 110.219 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 80.4 mt -67.07 -40.0 86.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.374 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -64.51 -40.64 96.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.548 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -66.56 -37.24 84.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.955 0.407 . . . . 10.0 110.337 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 62.9 mtt -68.68 -44.2 74.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.048 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.64 -36.51 83.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.591 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -58.74 -41.98 87.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.418 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -62.24 -41.24 98.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.599 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 72.1 mt -67.94 -41.77 85.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.339 -0.392 . . . . 10.0 110.503 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -64.05 -16.41 61.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.444 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -83.02 -19.36 37.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.012 0.434 . . . . 10.0 110.185 179.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -102.75 -39.22 7.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.756 179.445 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 468' ' ' PHE . . . . . 0.403 ' O ' HG12 ' D' ' 471' ' ' VAL . 9.5 m-85 -118.36 91.22 40.55 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.879 179.476 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -87.86 6.42 5.02 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.616 2.211 . . . . 10.0 113.267 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 12.6 pm0 -107.31 1.61 23.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.594 0.235 . . . . 10.0 111.336 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 471' ' ' VAL . . . . . 0.403 HG12 ' O ' ' D' ' 468' ' ' PHE . 13.4 p -100.85 131.03 24.01 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.655 -0.248 . . . . 10.0 110.686 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 472' ' ' PRO . . . . . 0.411 ' O ' HG23 ' D' ' 476' ' ' VAL . 47.9 Cg_exo -57.71 124.92 17.17 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.752 2.302 . . . . 10.0 112.558 179.079 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -55.68 -39.26 70.73 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.56 -0.745 . . . . 10.0 112.345 -178.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 51.9 p-80 -63.88 -29.68 70.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.646 0.26 . . . . 10.0 111.069 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 46.0 mt -77.86 -35.54 50.88 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.876 -0.416 . . . . 10.0 109.876 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 476' ' ' VAL . . . . . 0.411 HG23 ' O ' ' D' ' 472' ' ' PRO . 26.5 t -63.78 -47.59 90.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.999 -0.546 . . . . 10.0 109.662 178.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 63.3 mt -64.21 -30.7 71.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.796 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -67.74 -47.53 69.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.28 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -68.4 -38.19 81.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.762 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.7 -27.79 52.17 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.862 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -78.87 -27.3 44.03 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.702 0.287 . . . . 10.0 110.972 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -88.58 -48.28 7.69 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.531 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 31.6 p -85.66 -39.68 17.0 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.736 0.273 . . . . 10.0 111.736 -178.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 60.88 28.23 18.01 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.39 0.614 . . . . 10.0 110.436 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 9.6 t -152.41 117.28 5.12 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.56 -0.746 . . . . 10.0 109.908 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 17.6 m -57.78 -32.26 42.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.302 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -61.9 -44.4 96.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.529 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 17.0 mt -75.3 -38.09 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.719 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 37.7 m -59.09 -52.6 65.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.333 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 2.7 m -62.22 -37.58 85.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 10.0 110.726 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 491' ' ' ASP . . . . . 0.461 ' OD1' ' HG3' ' B' ' 72' ' ' ARG . 4.5 t70 -66.63 -43.98 83.22 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 178.559 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -55.52 -36.55 66.85 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.548 -0.751 . . . . 10.0 110.817 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 83.7 mt -66.73 -45.3 88.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.205 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -34.6 77.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.882 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -61.29 -42.99 99.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.18 0.514 . . . . 10.0 110.44 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 123.16 15.61 3.75 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.54 -0.838 . . . . 10.0 112.708 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -73.58 -37.96 65.31 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 3.6 mp -95.74 124.37 48.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.534 -0.757 . . . . 10.0 109.288 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -69.33 127.35 32.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.936 0.398 . . . . 10.0 111.256 -179.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 26.5 m -78.43 157.8 77.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.586 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -46.68 119.61 3.38 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.072 2.514 . . . . 10.0 112.84 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -140.73 136.89 16.74 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.802 -0.635 . . . . 10.0 109.895 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -65.6 116.91 4.19 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.585 2.19 . . . . 10.0 111.733 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.552 -0.737 . . . . 10.0 110.315 -179.798 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 110.18 -0.304 . . . . 10.0 110.18 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 71.8 mm-40 -97.4 143.59 27.98 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.111 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.9 pt -132.64 162.82 39.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.967 -0.753 . . . . 10.0 108.967 178.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -122.69 113.78 19.68 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.873 0.368 . . . . 10.0 111.127 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.8 t -105.05 120.38 55.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.022 -0.536 . . . . 10.0 109.912 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -102.45 134.18 46.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.072 0.463 . . . . 10.0 111.247 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.28 170.45 9.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.708 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.9 mt -68.24 -12.84 61.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.751 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.92 -4.35 58.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.92 0.391 . . . . 10.0 111.347 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.06 34.77 16.99 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.69 -0.767 . . . . 10.0 111.949 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.448 ' HE2' HG12 ' A' ' 13' ' ' ILE . 74.4 tttt -116.02 124.75 51.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.809 0.338 . . . . 10.0 110.415 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.9 m -95.95 114.78 26.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.413 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.448 HG12 ' HE2' ' A' ' 11' ' ' LYS . 20.7 mt -101.98 127.21 55.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.099 -179.349 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.95 133.95 33.55 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.716 -0.475 . . . . 10.0 109.716 178.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.6 mt -133.66 140.35 47.02 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.91 0.386 . . . . 10.0 111.125 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -97.53 109.19 21.99 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.256 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 m -136.22 -177.34 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.319 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.587 ' O ' HD12 ' A' ' 56' ' ' LEU . 35.5 mm-40 -141.56 156.1 66.72 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 108.941 -0.762 . . . . 10.0 108.941 179.18 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.402 ' HD2' ' OE1' ' A' ' 18' ' ' GLU . 11.5 Cg_endo -55.96 -28.41 68.53 Favored 'Trans proline' 0 CA--C 1.53 0.311 0 C-N-CA 122.42 2.08 . . . . 10.0 112.335 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.2 0.61 44.64 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.495 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -80.31 150.98 29.75 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 120.787 0.327 . . . . 10.0 110.29 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -94.83 144.78 25.37 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.239 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 51.7 mm -55.35 -40.68 58.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 120.976 0.417 . . . . 10.0 110.745 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -57.45 -40.9 79.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.8 -0.636 . . . . 10.0 110.832 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -68.0 -35.36 78.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.012 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.35 -41.43 92.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 178.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -61.2 -40.33 93.54 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.609 178.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.76 -37.05 86.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.556 -0.747 . . . . 10.0 110.495 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -67.04 -36.22 81.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.032 -0.531 . . . . 10.0 109.98 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 85.3 mt -68.11 -38.02 79.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 178.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -66.61 -31.77 72.67 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.761 -0.654 . . . . 10.0 109.714 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -69.09 -39.32 79.08 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 69.6 mttt -81.98 -59.4 2.59 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.496 0.554 . . . . 10.0 112.496 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -79.65 -46.91 16.29 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.263 0.468 . . . . 10.0 112.263 -178.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.32 9.78 26.85 Favored Glycine 0 N--CA 1.454 -0.162 0 C-N-CA 120.474 -0.869 . . . . 10.0 112.349 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.8 mt -88.33 123.6 68.04 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 110.463 -0.199 . . . . 10.0 110.463 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -55.55 142.37 81.47 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.757 2.305 . . . . 10.0 112.404 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -57.44 -27.14 74.78 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.923 2.415 . . . . 10.0 112.853 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -66.4 -25.89 66.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.009 0.433 . . . . 10.0 110.665 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.494 ' HA ' ' HB3' ' A' ' 72' ' ' ARG . 47.0 mt-30 -102.12 11.0 39.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.106 -179.106 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -104.61 133.77 48.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.23 -0.441 . . . . 10.0 111.386 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.0 mtt180 -132.65 104.77 6.81 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.114 -0.493 . . . . 10.0 109.708 178.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.3 mt -92.92 126.11 37.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.968 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.6 mp -123.74 132.7 70.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.337 179.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.45 ' HB3' HD21 ' A' ' 50' ' ' LEU . 77.8 t80 -133.76 129.27 36.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.965 -0.562 . . . . 10.0 109.541 179.473 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.55 24.93 13.7 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.661 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.52 7.8 85.76 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.871 -0.68 . . . . 10.0 112.495 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -115.63 133.53 55.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.697 -0.296 . . . . 10.0 110.246 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -77.7 132.08 38.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.276 -0.42 . . . . 10.0 109.953 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.45 HD21 ' HB3' ' A' ' 45' ' ' PHE . 14.9 mt -87.2 142.34 27.98 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.4 -178.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.491 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 18.0 mt-10 -100.42 147.84 25.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.689 -0.687 . . . . 10.0 109.593 178.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -68.07 -20.26 64.94 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.623 0.601 . . . . 10.0 112.623 -178.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.76 4.2 85.84 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.466 -0.874 . . . . 10.0 113.042 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.491 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 22.9 mmt180 -109.63 167.0 10.47 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 122.533 -0.392 . . . . 10.0 110.795 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.5 p -109.93 169.87 8.44 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.542 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 18' ' ' GLU . 63.8 mt -62.91 -34.67 77.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.886 0.374 . . . . 10.0 110.567 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 51.0 m -68.35 -28.24 66.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.871 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -63.52 -26.25 68.62 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.814 0.34 . . . . 10.0 111.297 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -108.89 10.7 26.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.338 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.9 t30 56.99 36.04 27.24 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.461 -0.791 . . . . 10.0 111.22 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 83.7 mt -79.85 115.09 21.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.114 -0.494 . . . . 10.0 109.759 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -99.12 -163.0 1.0 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.655 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -78.26 153.6 31.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.462 -0.335 . . . . 10.0 110.834 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 60.3 24.73 14.18 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.682 -0.69 . . . . 10.0 112.023 178.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.6 m -82.24 145.83 29.82 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.2 m -100.01 122.53 43.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.43 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 mp -117.27 149.12 40.96 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.923 -0.58 . . . . 10.0 109.734 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -109.85 134.32 52.18 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.595 0.236 . . . . 10.0 110.386 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.4 tp -113.52 118.55 34.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.125 0.488 . . . . 10.0 111.472 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.6 t -102.71 139.9 22.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.291 178.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.5 mt -96.4 146.59 24.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.804 0.335 . . . . 10.0 111.132 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.494 ' HB3' ' HA ' ' A' ' 40' ' ' GLN . 51.8 ttt180 -115.47 123.74 49.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.52 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 78.5 mt -98.78 129.31 45.19 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -126.23 19.9 7.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.853 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -130.81 41.11 1.56 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.293 -0.956 . . . . 10.0 112.861 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.261 0 CA-C-O 118.611 -1.105 . . . . 10.0 112.05 179.422 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptt? . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.656 0.265 . . . . 10.0 110.614 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -122.6 144.51 49.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.856 0.36 . . . . 10.0 111.089 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.9 pt -128.13 165.83 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.173 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.42 ' O ' ' HA ' ' B' ' 66' ' ' THR . 89.7 m-85 -119.95 110.35 16.61 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.375 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 46.5 t -91.53 124.3 43.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.518 -0.31 . . . . 10.0 110.199 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -100.61 138.49 37.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.114 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 16.6 p -112.51 173.23 6.47 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.364 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 35.8 mt -76.67 -8.98 58.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.844 0.354 . . . . 10.0 110.814 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 3.9 p -96.48 -18.64 19.71 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.11 0.481 . . . . 10.0 110.861 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.62 -1.36 45.72 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.744 -0.741 . . . . 10.0 111.744 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 44.0 tttp -72.17 116.91 13.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.521 -0.339 . . . . 10.0 110.564 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.8 m -90.79 119.73 31.25 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.002 0.43 . . . . 10.0 110.467 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 84.0 mt -111.62 123.34 67.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.016 0.436 . . . . 10.0 111.478 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.16 136.33 33.52 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.184 -0.462 . . . . 10.0 109.779 178.564 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 18.9 mt -137.45 138.1 39.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.063 0.459 . . . . 10.0 111.475 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.48 111.24 19.8 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.611 -0.722 . . . . 10.0 109.149 179.03 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 15.8 m -130.16 165.99 28.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.499 -179.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.471 ' O ' HD12 ' B' ' 56' ' ' LEU . 24.9 mm-40 -122.47 158.85 55.04 Favored Pre-proline 0 C--N 1.319 -0.75 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.032 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.53 -26.92 80.55 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 121.91 1.74 . . . . 10.0 111.728 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -94.14 9.83 36.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.265 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.463 ' HB2' ' H ' ' B' ' 18' ' ' GLU . 10.7 t0 -80.2 137.39 36.66 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.766 -0.457 . . . . 10.0 109.766 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.45 146.22 27.06 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.668 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 50.0 mm -56.82 -40.78 73.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.896 0.379 . . . . 10.0 110.552 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -61.07 -35.54 77.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.629 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -69.14 -37.79 78.46 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.29 -39.16 84.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.534 178.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.417 ' HE3' ' HB2' ' B' ' 41' ' ' GLN . 2.4 mmmm -59.66 -41.31 90.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.191 178.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.33 -31.15 71.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.657 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -70.29 -38.26 74.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.23 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 63.1 mt -70.05 -37.03 71.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 121.171 0.51 . . . . 10.0 109.788 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.413 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 43.4 tt0 -66.19 -34.75 78.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.042 179.238 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -70.36 -23.64 62.84 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.695 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -89.65 -70.19 0.68 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.123 -0.49 . . . . 10.0 112.112 -179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -83.58 -26.11 30.32 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.496 0.554 . . . . 10.0 112.496 -177.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 94.39 -3.13 68.68 Favored Glycine 0 C--N 1.32 -0.348 0 C-N-CA 120.486 -0.864 . . . . 10.0 112.331 -179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 75.1 mt -61.99 122.02 69.39 Favored Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 110.57 -0.159 . . . . 10.0 110.57 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -55.75 137.27 77.93 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.84 2.36 . . . . 10.0 112.214 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.71 -20.54 43.23 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.667 2.245 . . . . 10.0 112.484 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -68.25 -35.24 77.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.163 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -90.56 -11.67 39.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.887 -179.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.417 ' HB2' ' HE3' ' B' ' 27' ' ' LYS . 75.2 mt-30 -78.33 95.57 5.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.117 -0.492 . . . . 10.0 112.129 -178.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.466 ' CZ ' HD22 ' D' ' 494' ' ' LEU . 36.0 ttt180 -101.29 100.67 11.21 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.688 -0.856 . . . . 10.0 108.688 177.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 64.9 mt -86.78 130.85 34.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 10.0 111.801 -178.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.4 mp -128.36 141.45 46.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.524 -0.762 . . . . 10.0 110.235 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.523 ' HB3' HD21 ' B' ' 50' ' ' LEU . 67.6 t80 -136.46 124.65 23.1 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.856 -0.424 . . . . 10.0 109.856 178.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.78 26.41 15.55 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 123.589 0.555 . . . . 10.0 111.744 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.23 1.7 78.43 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.801 -0.714 . . . . 10.0 113.102 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -117.59 136.29 53.38 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.249 -0.278 . . . . 10.0 110.249 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.8 143.3 46.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.594 0.235 . . . . 10.0 110.461 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.523 HD21 ' HB3' ' B' ' 45' ' ' PHE . 47.3 mt -94.66 143.02 26.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.059 -179.381 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -92.34 139.59 30.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 10.0 109.771 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -64.96 -27.37 68.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.512 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.65 22.77 12.11 Favored Glycine 0 C--O 1.228 -0.231 0 C-N-CA 120.943 -0.646 . . . . 10.0 112.882 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' B' ' 54' ' ' ARG . 8.2 mmt-85 -127.61 166.35 18.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.815 0.34 . . . . 10.0 110.491 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 49.0 p -109.21 175.33 5.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.26 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.471 HD12 ' O ' ' B' ' 18' ' ' GLU . 96.5 mt -67.26 -35.29 79.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.893 0.377 . . . . 10.0 110.993 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 49.1 m -70.98 -19.21 62.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.528 -0.305 . . . . 10.0 111.576 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -66.19 -31.21 71.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.848 0.356 . . . . 10.0 110.763 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.411 ' HB2' HG13 ' B' ' 61' ' ' ILE . 82.4 m-85 -107.27 13.79 26.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.05 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 61.41 35.49 17.75 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.333 0.587 . . . . 10.0 110.919 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.411 HG13 ' HB2' ' B' ' 59' ' ' TYR . 66.8 mt -82.63 122.31 37.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.033 179.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -109.9 -164.42 0.93 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.244 -179.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.468 ' H ' ' HD3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -76.35 156.86 32.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.685 179.865 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 67.34 13.52 9.39 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.858 0.724 . . . . 10.0 111.836 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 20.2 m -81.68 139.78 34.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.613 0.244 . . . . 10.0 110.368 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 2.0 m -91.98 129.74 37.87 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.378 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mp -109.61 131.91 54.63 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.167 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.581 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 35.9 m80 -88.33 116.9 26.88 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.881 -179.578 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.4 tp -104.74 98.42 8.17 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.819 -0.438 . . . . 10.0 109.819 178.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 99.1 t -97.94 127.18 50.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.912 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 49.9 mt -86.04 106.56 17.28 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.838 -0.801 . . . . 10.0 108.838 178.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.14 152.74 21.45 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.928 0.394 . . . . 10.0 111.579 -178.418 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 4.9 mp -136.03 125.29 24.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.264 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -123.4 10.97 9.26 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.2 0.524 . . . . 10.0 110.312 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -162.55 47.62 0.34 Allowed Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.597 -0.728 . . . . 10.0 111.297 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.165 0 CA-C-O 118.528 -1.151 . . . . 10.0 111.407 -179.734 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 120.612 0.244 . . . . 10.0 110.636 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 454' ' ' ASN . . . . . 0.597 ' O ' ' HB2' ' D' ' 458' ' ' ASN . 10.5 t30 65.9 19.71 11.3 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.689 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.07 -59.07 2.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.762 -179.105 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -61.11 -41.35 96.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.122 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 65.1 mt -64.61 -39.28 93.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.748 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 458' ' ' ASN . . . . . 0.597 ' HB2' ' O ' ' D' ' 454' ' ' ASN . 7.4 t-20 -65.01 -42.44 94.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.46 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -58.81 -42.93 90.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.867 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 54.1 mtm -70.6 -39.89 73.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.545 -0.752 . . . . 10.0 110.593 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.6 95.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.762 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -58.18 -41.37 83.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.834 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -64.67 -41.04 96.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.513 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 82.0 mt -65.68 -34.34 69.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.233 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 -63.31 -25.35 68.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.958 0.409 . . . . 10.0 110.819 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -77.28 -26.44 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.18 -0.463 . . . . 10.0 110.079 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 467' ' ' MET . . . . . 0.581 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 62.8 mmm -88.53 -37.29 15.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.47 -0.786 . . . . 10.0 110.184 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 468' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.17 88.99 19.08 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.715 -0.675 . . . . 10.0 109.848 179.151 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -79.98 23.38 0.68 Allowed 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.706 2.271 . . . . 10.0 113.307 -178.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -150.36 52.58 0.89 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.105 0.479 . . . . 10.0 110.553 -179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 471' ' ' VAL . . . . . . . . . . . . . 12.1 p -146.56 134.54 10.6 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.551 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 472' ' ' PRO . . . . . 0.479 ' HG2' HD12 ' D' ' 475' ' ' LEU . 32.5 Cg_exo -59.77 122.26 11.16 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.316 2.011 . . . . 10.0 112.02 178.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -54.46 -44.01 72.17 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.47 -0.786 . . . . 10.0 112.641 -178.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 49.9 p-80 -64.3 -28.21 69.56 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.718 0.266 . . . . 10.0 111.718 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 475' ' ' LEU . . . . . 0.479 HD12 ' HG2' ' D' ' 472' ' ' PRO . 23.7 mt -78.04 -30.94 50.12 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.183 -0.303 . . . . 10.0 110.183 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 60.5 t -65.07 -40.81 90.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 109.158 -0.682 . . . . 10.0 109.158 178.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 71.5 mt -63.52 -29.38 70.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.45 -0.796 . . . . 10.0 110.561 178.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -66.12 -49.0 69.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.744 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -66.53 -35.55 80.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.089 0.471 . . . . 10.0 110.092 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.31 -30.75 68.57 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.518 -0.765 . . . . 10.0 111.092 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -87.27 -3.55 59.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.817 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -106.27 -64.57 1.15 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.902 0.382 . . . . 10.0 111.204 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 48.8 p -78.53 -39.0 39.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.868 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 484' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' D' ' 484' ' ' ARG . 52.1 mtt85 64.15 39.72 7.42 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.711 -0.677 . . . . 10.0 111.342 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 3.1 t -154.99 116.36 4.04 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.494 -0.558 . . . . 10.0 109.494 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 10.7 m -55.93 -33.94 36.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 120.721 0.295 . . . . 10.0 111.535 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -64.94 -54.64 27.44 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.382 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 488' ' ' ILE . . . . . 0.405 ' O ' ' HB2' ' D' ' 492' ' ' ASN . 60.5 mt -66.03 -39.21 83.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.175 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 66.2 m -58.99 -55.04 40.31 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.784 0.29 . . . . 10.0 111.784 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 2.4 m -60.9 -37.37 82.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.738 0.304 . . . . 10.0 111.142 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -68.67 -41.03 79.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.398 0.618 . . . . 10.0 109.979 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 492' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' D' ' 488' ' ' ILE . 30.1 t30 -60.77 -43.84 97.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.038 -0.983 . . . . 10.0 110.181 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 77.1 mt -68.31 -36.25 74.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.609 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 494' ' ' LEU . . . . . 0.466 HD22 ' CZ ' ' B' ' 42' ' ' ARG . 0.1 OUTLIER -63.02 -22.63 66.99 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.005 0.431 . . . . 10.0 110.983 179.881 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -91.42 -4.07 56.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.853 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 81.71 29.01 40.53 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.955 -0.64 . . . . 10.0 113.401 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -69.96 -41.69 74.15 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.213 -0.662 . . . . 10.0 109.213 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -92.56 145.95 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 N-CA-C 108.673 -0.862 . . . . 10.0 108.673 178.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -61.93 126.64 28.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.168 0.508 . . . . 10.0 111.485 -179.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 23.1 m -90.78 161.95 34.61 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.007 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.13 102.08 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.357 2.038 . . . . 10.0 112.053 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -116.23 137.36 23.42 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.149 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -63.32 140.61 77.86 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.356 2.037 . . . . 10.0 111.981 179.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 C--O 1.253 1.239 0 CA-C-O 118.207 -0.901 . . . . 10.0 109.553 -179.682 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.519 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 24.4 ptt? . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 109.862 -0.421 . . . . 10.0 109.862 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -94.95 133.93 38.16 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.259 -0.428 . . . . 10.0 112.062 -178.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.0 pt -123.43 163.16 23.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.211 -0.663 . . . . 10.0 109.211 178.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.578 ' O ' ' HA ' ' A' ' 66' ' ' THR . 86.9 m-85 -120.05 112.34 19.02 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.648 0.261 . . . . 10.0 110.782 -179.277 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.0 t -98.88 121.24 49.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -104.24 134.36 47.6 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.233 0.54 . . . . 10.0 111.354 -178.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.0 p -103.37 166.94 10.13 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.493 -0.776 . . . . 10.0 110.199 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.9 mt -67.89 -17.84 64.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.13 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.03 -2.31 51.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.348 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.98 16.36 61.29 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.784 -0.722 . . . . 10.0 112.792 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HE2' HG12 ' A' ' 13' ' ' ILE . 68.9 tttt -100.35 139.14 36.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.734 0.302 . . . . 10.0 110.74 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 m -113.04 121.42 44.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.091 -0.504 . . . . 10.0 109.831 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.415 HG12 ' HE2' ' A' ' 11' ' ' LYS . 19.4 mt -105.71 128.65 59.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.95 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.83 117.96 30.8 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.606 -0.516 . . . . 10.0 109.606 178.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.6 mt -117.28 150.95 37.94 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.996 0.427 . . . . 10.0 111.883 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -99.84 111.65 23.96 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.413 -0.812 . . . . 10.0 109.097 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.519 ' O ' ' HG2' ' A' ' 1' ' ' MET . 14.1 m -139.38 167.57 19.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.112 -179.343 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.471 ' O ' HD12 ' A' ' 56' ' ' LEU . 19.6 mm-40 -127.63 157.99 71.46 Favored Pre-proline 0 C--N 1.318 -0.801 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.91 -27.37 34.9 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 122.698 2.266 . . . . 10.0 113.403 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.84 2.85 47.65 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.994 0.368 . . . . 10.0 111.994 -179.265 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -79.42 154.78 28.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.648 0.261 . . . . 10.0 110.93 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.1 p -101.06 149.37 24.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.069 -179.416 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.6 mm -56.65 -43.35 78.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.166 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.82 -33.24 74.8 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.778 0.323 . . . . 10.0 110.71 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -71.83 -39.21 69.92 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.568 -0.531 . . . . 10.0 109.568 179.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 22' ' ' THR . 75.8 t -62.03 -42.98 96.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.806 -0.633 . . . . 10.0 109.836 178.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -62.8 -36.07 81.94 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.18 0.514 . . . . 10.0 110.104 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.39 -35.83 82.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.098 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.85 -30.6 71.24 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 109.587 -0.523 . . . . 10.0 109.587 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.4 mt -69.72 -32.42 52.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 108.585 -0.894 . . . . 10.0 108.585 177.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -71.59 -28.84 64.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.353 -0.84 . . . . 10.0 109.408 178.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -71.8 -30.34 65.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.465 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.5 mmtt -93.96 -57.94 2.39 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.72 0.637 . . . . 10.0 112.72 -178.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -92.25 -29.67 16.29 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.736 0.643 . . . . 10.0 112.736 -177.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.17 54.86 3.92 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.387 -0.911 . . . . 10.0 112.087 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.5 mt -118.02 131.65 24.07 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 109.835 -0.431 . . . . 10.0 109.835 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.61 123.46 13.4 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.846 2.364 . . . . 10.0 112.756 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -57.23 -25.04 62.59 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.992 2.461 . . . . 10.0 113.362 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -62.79 -39.37 94.03 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.929 0.395 . . . . 10.0 111.416 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.473 ' O ' ' HA ' ' A' ' 71' ' ' LEU . 64.8 mt-30 -90.34 1.21 56.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.123 -178.669 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -89.08 107.58 19.12 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.724 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -112.75 105.21 13.3 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.314 -0.624 . . . . 10.0 109.314 178.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.508 ' HB3' HD12 ' A' ' 50' ' ' LEU . 31.0 mt -89.6 136.53 32.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.305 -179.029 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 58.2 mt -129.5 131.16 67.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.694 -0.684 . . . . 10.0 109.726 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.41 ' HB3' HD21 ' A' ' 50' ' ' LEU . 42.0 t80 -129.36 119.54 24.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.66 -0.245 . . . . 10.0 110.409 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.63 31.85 21.54 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.158 -0.473 . . . . 10.0 111.334 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.99 -7.96 75.37 Favored Glycine 0 C--O 1.229 -0.165 0 C-N-CA 120.794 -0.717 . . . . 10.0 112.412 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -95.55 129.65 42.66 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.281 -0.266 . . . . 10.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -76.68 131.37 38.77 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.718 -0.475 . . . . 10.0 109.718 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.508 HD12 ' HB3' ' A' ' 43' ' ' LEU . 21.5 mt -90.4 122.79 33.58 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.843 0.354 . . . . 10.0 110.872 -179.385 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.429 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 40.0 mt-10 -84.54 153.45 23.26 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.041 -0.527 . . . . 10.0 109.82 179.151 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.52 -44.56 93.88 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.348 0.499 . . . . 10.0 112.348 -178.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.63 43.36 3.05 Favored Glycine 0 CA--C 1.518 0.235 0 C-N-CA 120.98 -0.628 . . . . 10.0 113.563 -178.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.429 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 21.5 mmt180 -132.63 160.3 37.06 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.116 -0.327 . . . . 10.0 110.116 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 79.1 p -105.73 173.38 6.33 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.876 -0.416 . . . . 10.0 109.876 178.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.471 HD12 ' O ' ' A' ' 18' ' ' GLU . 29.5 mt -69.5 -30.1 67.89 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.247 0.546 . . . . 10.0 109.82 178.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.0 m -73.38 -22.15 60.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.615 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.473 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.1 m-20 -60.92 -37.65 83.02 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.874 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -105.11 11.26 33.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.734 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 57.9 t30 57.63 42.19 24.36 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.34 0.591 . . . . 10.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 92.4 mt -81.18 132.26 31.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.447 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -121.02 -163.52 1.04 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.609 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.456 ' HE3' ' OE2' ' A' ' 64' ' ' GLU . 58.6 pttt -73.51 155.03 39.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.616 0.246 . . . . 10.0 110.622 179.341 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.456 ' OE2' ' HE3' ' A' ' 63' ' ' LYS . 36.1 mt-10 67.17 8.72 6.4 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.719 -0.673 . . . . 10.0 112.277 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.9 m -70.64 127.84 34.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.771 0.319 . . . . 10.0 110.591 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.578 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 83.8 m -93.94 110.86 22.51 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.841 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mp -99.6 142.05 31.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.553 -0.749 . . . . 10.0 109.827 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -100.81 127.11 47.39 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 110.14 -0.319 . . . . 10.0 110.14 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.5 tp -107.33 114.71 28.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.027 0.442 . . . . 10.0 110.711 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 39.5 t -112.26 134.41 54.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.853 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.473 ' HA ' ' O ' ' A' ' 40' ' ' GLN . 72.4 mt -101.52 140.16 36.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.847 0.356 . . . . 10.0 110.493 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.428 ' NH2' ' HA ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -107.36 125.12 50.8 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.752 -179.636 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.9 mt -90.57 127.0 36.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.778 0.323 . . . . 10.0 110.402 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.428 ' HA ' ' NH2' ' A' ' 72' ' ' ARG . 34.2 ttm-85 -103.25 119.47 38.92 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.394 -179.43 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.26 43.4 79.78 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.891 -0.671 . . . . 10.0 112.503 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.067 -1.407 . . . . 10.0 111.052 179.857 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.438 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 25.6 ptt? . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 109.931 -0.396 . . . . 10.0 109.931 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -104.17 137.8 41.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.751 0.31 . . . . 10.0 111.333 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 20.9 pt -122.57 160.06 25.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.707 -0.479 . . . . 10.0 109.707 178.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -119.24 109.18 15.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.951 0.405 . . . . 10.0 111.215 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 52.3 t -93.77 120.73 43.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.159 -0.473 . . . . 10.0 109.806 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -103.19 125.35 49.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.091 0.472 . . . . 10.0 111.195 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -98.16 158.22 15.68 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.891 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 80.2 mt -59.91 -14.83 17.36 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 122.692 0.397 . . . . 10.0 112.001 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.5 p -84.44 -3.6 58.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.264 -0.425 . . . . 10.0 111.707 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.3 19.42 57.1 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 10.0 111.364 -179.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -102.16 129.76 48.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.646 -0.277 . . . . 10.0 110.336 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -113.63 112.79 24.09 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.874 -0.417 . . . . 10.0 109.874 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 8.7 mt -102.67 142.33 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.606 -178.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.0 137.96 37.73 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.112 178.633 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 67.5 mt -138.87 131.56 29.06 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.672 -0.24 . . . . 10.0 111.016 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -82.62 114.98 21.37 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.056 -0.72 . . . . 10.0 109.056 178.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.438 ' O ' ' HG2' ' B' ' 1' ' ' MET . 16.5 m -134.58 171.13 18.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.855 -0.612 . . . . 10.0 110.448 -179.356 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.472 ' O ' HD12 ' B' ' 56' ' ' LEU . 15.4 mm-40 -133.09 159.79 71.25 Favored Pre-proline 0 C--N 1.32 -0.694 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 179.421 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.79 -27.73 54.05 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.412 2.075 . . . . 10.0 112.594 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.35 -2.06 57.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.137 -0.483 . . . . 10.0 112.133 -179.387 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -76.01 146.13 39.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.742 0.306 . . . . 10.0 110.306 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.461 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.1 OUTLIER -98.23 149.79 22.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.009 -179.301 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 51.8 mm -57.48 -36.94 55.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.037 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -62.47 -41.65 98.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.386 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.419 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 62.4 t30 -69.21 -37.27 77.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.826 0.346 . . . . 10.0 110.523 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 22' ' ' THR . 88.8 t -59.83 -41.38 85.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.213 -0.449 . . . . 10.0 109.855 179.004 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -66.76 -33.45 75.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.594 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.22 -31.14 72.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.074 0.464 . . . . 10.0 110.111 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 91.3 mttt -69.2 -38.04 78.42 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.891 179.344 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 49.2 mt -71.64 -28.16 30.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 178.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.51 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 33.4 tt0 -74.16 -22.57 59.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.628 178.474 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -80.85 -46.57 15.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.034 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -74.48 -65.69 0.83 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.804 -0.635 . . . . 10.0 111.631 -179.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -81.04 -54.26 5.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.154 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.51 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 105.8 44.83 1.36 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.481 -0.866 . . . . 10.0 112.338 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.8 mt -105.39 123.68 38.8 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 109.969 -0.382 . . . . 10.0 109.969 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 52.7 Cg_exo -54.46 140.96 74.14 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.579 2.186 . . . . 10.0 112.164 179.547 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 32.1 Cg_exo -57.76 -21.01 45.89 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.892 2.394 . . . . 10.0 112.869 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.56 -32.01 62.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.588 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.506 ' HA ' ' HG2' ' B' ' 72' ' ' ARG . 68.5 mt-30 -91.98 -19.31 22.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.083 0.468 . . . . 10.0 110.442 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -79.12 97.97 6.37 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.453 -0.794 . . . . 10.0 111.606 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -103.46 99.22 9.04 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.37 -0.604 . . . . 10.0 109.37 178.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.464 ' HB3' HD12 ' B' ' 50' ' ' LEU . 70.4 mt -82.49 126.42 32.23 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.168 0.508 . . . . 10.0 111.186 -179.389 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.463 HG12 ' CZ ' ' D' ' 468' ' ' PHE . 1.4 mp -122.97 147.4 27.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.43 -0.804 . . . . 10.0 109.531 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -140.53 118.53 11.87 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.904 -0.406 . . . . 10.0 109.904 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.89 21.52 11.72 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.898 179.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.56 18.33 38.75 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.582 -0.818 . . . . 10.0 113.059 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -132.37 163.1 29.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.477 -0.426 . . . . 10.0 110.136 179.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.71 146.33 25.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.974 0.416 . . . . 10.0 111.259 -179.176 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.464 HD12 ' HB3' ' B' ' 43' ' ' LEU . 61.4 mt -95.35 123.22 38.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.903 -0.589 . . . . 10.0 109.687 178.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -71.77 127.51 32.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.864 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.65 -33.28 72.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.366 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.12 33.2 4.58 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.183 -0.532 . . . . 10.0 112.66 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 77.5 mmt-85 -135.36 170.78 15.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.948 0.404 . . . . 10.0 110.403 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 40.2 p -108.86 175.08 5.59 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.958 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.472 HD12 ' O ' ' B' ' 18' ' ' GLU . 47.9 mt -70.48 -28.06 64.7 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.537 179.471 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 15.5 m -67.73 -27.63 66.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.822 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -59.07 -42.93 91.54 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.141 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -98.0 10.05 41.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.803 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 52.3 t30 56.67 40.07 29.43 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.458 -0.792 . . . . 10.0 111.692 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 90.3 mt -74.26 116.86 17.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -103.89 -170.84 1.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.504 -178.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 48.6 pttt -70.9 146.87 49.31 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.737 -0.665 . . . . 10.0 110.778 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 59.98 34.58 21.52 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.672 -0.694 . . . . 10.0 112.297 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 22.3 m -95.66 142.05 28.42 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.22 -0.289 . . . . 10.0 110.22 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 29.4 m -88.26 119.94 29.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.935 0.398 . . . . 10.0 111.255 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -102.23 135.53 43.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.415 178.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -89.65 129.8 36.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.779 0.323 . . . . 10.0 110.427 -179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 49.7 tp -116.97 110.86 18.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.932 0.396 . . . . 10.0 110.388 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.45 HG13 ' HB ' ' D' ' 490' ' ' THR . 74.2 t -99.64 132.51 44.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.801 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 30.2 mt -87.03 133.06 33.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.086 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.568 ' HB2' ' OD1' ' D' ' 491' ' ' ASP . 0.0 OUTLIER -114.77 147.53 39.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.979 0.419 . . . . 10.0 110.556 179.657 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.41 HD12 ' CG1' ' D' ' 488' ' ' ILE . 31.3 mt -119.62 -164.57 1.08 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.345 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -108.65 93.08 4.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.988 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 153.95 39.79 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.833 -0.699 . . . . 10.0 112.108 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' GLY . . . . . 0.445 ' HA2' ' NH2' ' D' ' 497' ' ' ARG . . . . . . . . 0 C--O 1.251 1.181 0 CA-C-O 118.196 -1.335 . . . . 10.0 111.562 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 453' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' D' ' 454' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 120.329 0.109 . . . . 10.0 110.847 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 454' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' D' ' 453' ' ' SER . 6.8 m-20 67.82 27.3 7.43 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.532 0.52 . . . . 10.0 111.298 179.486 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.88 -43.86 97.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.803 0.335 . . . . 10.0 111.365 -179.266 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -67.56 -41.32 84.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.049 0.452 . . . . 10.0 110.514 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 71.8 mt -66.96 -37.02 83.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.883 -0.599 . . . . 10.0 109.937 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -63.33 -37.65 88.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.487 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.71 94.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.754 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 48.2 mtm -73.67 -44.61 56.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.585 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.46 -35.99 79.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.76 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -57.27 -40.58 78.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.674 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -72.1 -35.8 69.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.064 0.459 . . . . 10.0 110.503 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 464' ' ' ILE . . . . . 0.608 HG23 HG23 ' D' ' 490' ' ' THR . 93.6 mt -68.94 -34.57 64.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.484 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -62.01 -29.2 70.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.372 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -73.38 -36.37 66.07 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.535 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 22.9 mmt -71.19 -42.02 69.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.615 -179.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 468' ' ' PHE . . . . . 0.463 ' CZ ' HG12 ' B' ' 44' ' ' ILE . 16.2 m-85 -123.19 83.2 51.61 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.387 179.24 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -75.84 45.24 1.45 Allowed 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 122.464 2.109 . . . . 10.0 112.986 -179.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -157.24 23.21 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.36 . . . . 10.0 111.239 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 471' ' ' VAL . . . . . 0.446 HG12 ' O ' ' D' ' 468' ' ' PHE . 7.3 p -120.48 132.02 24.27 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 110.039 -0.356 . . . . 10.0 110.039 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 472' ' ' PRO . . . . . 0.488 ' HD3' ' HG3' ' D' ' 501' ' ' PRO . 49.5 Cg_exo -57.2 122.97 12.73 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.565 2.176 . . . . 10.0 112.302 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -55.36 -38.46 68.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.439 -0.8 . . . . 10.0 112.075 -178.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 31.7 p80 -65.54 -24.82 67.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.746 0.308 . . . . 10.0 111.072 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 33.4 mt -83.22 -32.52 26.45 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.583 -0.525 . . . . 10.0 109.583 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 40.6 t -66.98 -45.31 87.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 109.343 -0.614 . . . . 10.0 109.343 178.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 46.8 mt -63.51 -25.26 68.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.567 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -63.82 -55.66 21.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.357 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -68.65 -29.28 67.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.798 0.332 . . . . 10.0 110.511 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.11 -23.07 66.32 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.156 178.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -92.59 -17.91 23.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.064 -0.517 . . . . 10.0 109.93 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -88.72 -59.16 2.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.202 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 67.1 p -90.46 -42.31 10.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.641 -178.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 64.48 41.02 5.86 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.453 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 12.3 t -154.49 124.68 6.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.665 -179.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 486' ' ' VAL . . . . . 0.41 HG12 HD11 ' D' ' 464' ' ' ILE . 34.4 m -66.58 -24.64 33.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.904 0.383 . . . . 10.0 111.246 -179.329 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -78.9 -5.23 53.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.079 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 488' ' ' ILE . . . . . 0.41 ' CG1' HD12 ' B' ' 73' ' ' LEU . 53.4 mt -116.65 -44.75 3.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 110.083 -0.34 . . . . 10.0 110.083 179.358 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 86.9 m -58.0 -67.19 0.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.039 -0.528 . . . . 10.0 112.004 -178.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 490' ' ' THR . . . . . 0.608 HG23 HG23 ' D' ' 464' ' ' ILE . 0.3 OUTLIER -55.61 -37.63 68.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.995 0.426 . . . . 10.0 111.67 -179.119 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 491' ' ' ASP . . . . . 0.568 ' OD1' ' HB2' ' B' ' 72' ' ' ARG . 24.0 t70 -68.64 -55.52 11.22 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.918 -179.562 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -59.34 -31.5 69.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.629 -179.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 75.6 mt -64.82 -41.84 93.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 109.33 -0.618 . . . . 10.0 109.33 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.39 -39.55 91.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.476 -0.784 . . . . 10.0 110.886 179.392 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -74.3 -50.16 20.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.791 -0.641 . . . . 10.0 111.232 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 136.45 84.56 0.16 Allowed Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.86 -0.686 . . . . 10.0 111.951 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 497' ' ' ARG . . . . . 0.448 ' HB3' HD12 ' D' ' 498' ' ' ILE . 2.2 tpp180 -133.18 -48.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.932 0.396 . . . . 10.0 110.261 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 498' ' ' ILE . . . . . 0.448 HD12 ' HB3' ' D' ' 497' ' ' ARG . 3.8 mp -95.87 143.82 11.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.479 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -59.58 143.97 48.85 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.944 0.402 . . . . 10.0 111.018 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 20.5 m -95.78 165.33 16.76 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.556 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 501' ' ' PRO . . . . . 0.488 ' HG3' ' HD3' ' D' ' 472' ' ' PRO . 12.0 Cg_exo -71.14 67.68 2.55 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.756 2.304 . . . . 10.0 112.297 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -78.42 123.61 85.68 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.332 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -68.73 101.72 0.8 Allowed 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.587 2.191 . . . . 10.0 111.966 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 6.6 t . . . . . 0 C--O 1.252 1.192 0 CA-C-O 118.099 -0.953 . . . . 10.0 110.085 -179.939 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.482 1.15 0 N-CA-C 109.818 -0.438 . . . . 10.0 109.818 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -105.86 135.36 47.43 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.941 0.401 . . . . 10.0 111.25 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.4 pt -115.73 162.71 13.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.817 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.458 ' O ' ' HA ' ' A' ' 66' ' ' THR . 55.6 m-85 -117.75 109.5 16.68 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.894 0.378 . . . . 10.0 110.678 -179.345 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 37.2 t -96.84 113.32 30.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.158 -0.474 . . . . 10.0 109.894 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.9 tttp -96.77 125.95 41.58 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.901 0.382 . . . . 10.0 111.178 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.41 157.34 15.95 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.624 178.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 38.6 mt -60.84 -16.65 43.55 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.928 0.394 . . . . 10.0 111.808 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.13 -13.22 60.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.351 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.39 9.54 55.11 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.969 -0.634 . . . . 10.0 111.658 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -97.74 131.99 43.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.658 0.266 . . . . 10.0 110.409 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.1 m -112.05 114.26 27.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.225 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.6 mt -94.45 144.09 10.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.935 -178.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -111.88 118.24 34.96 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.754 -0.462 . . . . 10.0 109.754 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.2 mt -120.93 150.3 41.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.782 0.325 . . . . 10.0 111.529 -178.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -95.66 115.34 27.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.771 -0.65 . . . . 10.0 109.481 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.2 m -140.74 179.43 2.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.148 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.501 ' O ' HD12 ' A' ' 56' ' ' LEU . 6.2 mm-40 -140.84 155.71 69.0 Favored Pre-proline 0 C--N 1.32 -0.698 0 N-CA-C 108.095 -1.076 . . . . 10.0 108.095 178.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -50.9 -30.71 31.2 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.501 2.134 . . . . 10.0 113.366 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.73 0.73 25.63 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.55 0.574 . . . . 10.0 112.55 -179.11 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -83.3 152.05 25.3 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.748 0.309 . . . . 10.0 110.394 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.456 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -99.07 150.48 21.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.871 -179.54 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.1 mm -58.4 -34.69 51.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.021 0.438 . . . . 10.0 110.613 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -59.83 -44.38 94.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.467 178.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -68.28 -37.93 81.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.327 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 22' ' ' THR . 60.5 t -62.24 -42.34 94.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.255 -0.429 . . . . 10.0 109.873 179.068 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -63.84 -36.61 84.46 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.068 -0.515 . . . . 10.0 109.955 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.23 -36.44 83.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.975 178.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -65.25 -36.95 85.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.035 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.7 mt -69.63 -37.93 75.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.248 -0.649 . . . . 10.0 109.248 178.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -66.33 -35.08 79.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.49 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -68.85 -33.32 73.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.809 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -92.21 -62.34 1.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.385 0.513 . . . . 10.0 112.385 -179.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -69.62 -46.52 66.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.745 0.307 . . . . 10.0 111.09 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.01 -3.19 31.62 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.553 -0.832 . . . . 10.0 112.345 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 34.4 mt -78.66 126.27 82.94 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 110.557 -0.164 . . . . 10.0 110.557 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -59.74 143.82 99.56 Favored 'Trans proline' 0 CA--C 1.529 0.265 0 C-N-CA 122.492 2.128 . . . . 10.0 112.137 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -68.17 -8.51 23.03 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.963 2.442 . . . . 10.0 113.417 -178.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -72.18 -38.91 68.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.073 0.464 . . . . 10.0 111.008 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -90.29 -11.23 41.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.357 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -74.3 111.11 9.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.44 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' A' ' 42' ' ' ARG . 10.2 mmt85 -112.27 99.01 7.69 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.201 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.436 ' HB3' HD12 ' A' ' 50' ' ' LEU . 30.1 mt -89.01 127.59 35.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.881 -0.599 . . . . 10.0 111.396 -179.277 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mp -126.96 134.54 65.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.698 -0.683 . . . . 10.0 109.328 179.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -115.03 98.19 6.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.577 0.227 . . . . 10.0 110.723 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.44 55.35 7.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.737 -0.665 . . . . 10.0 112.465 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.35 12.18 84.81 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.908 -0.663 . . . . 10.0 113.477 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -123.22 111.22 16.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.757 0.278 . . . . 10.0 110.489 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -65.53 130.08 42.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.363 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.436 HD12 ' HB3' ' A' ' 43' ' ' LEU . 14.6 mt -93.9 135.49 35.18 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.802 0.334 . . . . 10.0 110.858 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.401 ' CD ' ' HE ' ' A' ' 54' ' ' ARG . 4.1 mt-10 -100.56 152.33 20.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.168 179.253 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.95 -45.96 89.19 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.517 0.562 . . . . 10.0 112.517 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.28 27.0 2.46 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 121.028 -0.606 . . . . 10.0 114.392 -178.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.402 ' HG3' ' OH ' ' A' ' 59' ' ' TYR . 22.8 mmt180 -120.54 153.76 36.28 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.217 0.509 . . . . 10.0 110.383 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.1 p -99.08 165.96 11.48 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.652 -0.499 . . . . 10.0 109.652 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.501 HD12 ' O ' ' A' ' 18' ' ' GLU . 97.4 mt -64.18 -32.36 73.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.027 0.441 . . . . 10.0 110.01 179.327 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.86 -22.25 64.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.17 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -70.0 -22.23 63.15 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.352 -0.386 . . . . 10.0 111.434 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.402 ' OH ' ' HG3' ' A' ' 54' ' ' ARG . 90.1 m-85 -113.94 11.45 17.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.63 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.9 t30 61.5 30.98 19.03 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.387 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 85.9 mt -77.75 111.71 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.378 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -103.88 -165.23 1.13 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.855 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -71.25 150.3 45.38 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.928 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 64.49 17.74 10.99 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.625 -0.716 . . . . 10.0 112.535 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.6 m -79.96 141.35 36.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.688 0.28 . . . . 10.0 110.662 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.458 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 1.9 m -98.79 127.16 44.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.119 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -111.24 144.2 40.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.904 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -98.99 125.58 44.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.64 -0.254 . . . . 10.0 110.583 -179.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.4 tp -108.17 109.24 20.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.14 0.495 . . . . 10.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 28.4 t -107.71 146.5 13.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.643 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.5 mt -113.72 137.88 51.0 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.241 -0.281 . . . . 10.0 110.241 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.56 139.32 36.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.697 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.7 mt -98.06 174.2 6.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.426 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 38.6 mtm180 -116.1 -93.03 0.5 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.829 0.347 . . . . 10.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -94.09 95.01 1.88 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.786 -0.721 . . . . 10.0 112.343 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.454 ' C ' ' HZ2' ' B' ' 48' ' ' LYS . . . . . . . . 0 C--O 1.247 0.939 0 CA-C-O 117.976 -1.458 . . . . 10.0 110.874 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.4 ptt? . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 110.176 -0.305 . . . . 10.0 110.176 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -103.89 145.08 30.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.881 0.372 . . . . 10.0 111.25 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 18.3 pt -132.2 158.99 43.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.058 -0.519 . . . . 10.0 109.675 178.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -119.06 103.49 9.6 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.711 0.291 . . . . 10.0 110.422 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 37.0 t -93.0 120.34 42.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.162 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -99.92 151.7 21.01 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.781 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 12.4 p -127.3 160.97 29.71 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.361 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.562 HD23 ' HG3' ' D' ' 467' ' ' MET . 25.2 mt -62.7 -23.11 66.98 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.086 0.469 . . . . 10.0 110.906 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.41 -14.79 60.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.409 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.95 18.1 45.04 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.938 -0.649 . . . . 10.0 112.116 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -101.01 133.31 45.7 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.68 0.276 . . . . 10.0 110.552 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 21.8 m -101.32 119.51 38.87 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.228 -0.442 . . . . 10.0 109.912 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 26.1 mt -101.95 123.14 54.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.794 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.78 126.37 47.34 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.888 -0.597 . . . . 10.0 109.844 178.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.9 mt -136.83 151.23 48.9 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.005 0.431 . . . . 10.0 111.485 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -87.78 116.39 25.9 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.479 -0.782 . . . . 10.0 110.286 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 18.7 m -138.91 167.71 20.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.065 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.545 ' O ' HD12 ' B' ' 56' ' ' LEU . 10.3 mm-40 -139.07 158.88 68.74 Favored Pre-proline 0 C--N 1.32 -0.712 0 N-CA-C 108.927 -0.768 . . . . 10.0 108.927 179.263 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.29 -25.53 30.97 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.521 2.147 . . . . 10.0 113.287 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -87.01 1.14 53.82 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.249 0.462 . . . . 10.0 112.249 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -76.71 157.2 31.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.805 0.336 . . . . 10.0 110.405 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.451 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.2 OUTLIER -104.48 144.41 31.71 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.635 -179.15 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.406 HG12 ' O ' ' B' ' 54' ' ' ARG . 43.2 mm -56.31 -41.42 70.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-O 120.791 0.329 . . . . 10.0 110.689 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -60.85 -41.98 96.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.171 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -66.01 -38.12 87.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.376 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 22' ' ' THR . 94.8 t -59.34 -44.26 91.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.009 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -63.61 -35.22 79.81 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.308 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.36 -34.0 77.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.127 0.489 . . . . 10.0 109.926 178.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -69.91 -36.17 75.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.775 -0.648 . . . . 10.0 109.844 178.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 69.1 mt -70.2 -33.2 53.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.461 -0.57 . . . . 10.0 109.461 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -67.83 -23.59 65.19 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.57 -0.741 . . . . 10.0 110.303 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -73.38 -44.73 57.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.496 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -80.69 -53.13 6.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.809 -0.632 . . . . 10.0 112.103 -178.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -80.03 -60.69 2.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.622 0.248 . . . . 10.0 111.318 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.91 -5.47 13.84 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.474 -0.87 . . . . 10.0 112.402 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.2 mt -76.81 126.94 85.14 Favored Pre-proline 0 C--N 1.329 -0.314 0 N-CA-C 110.3 -0.259 . . . . 10.0 110.3 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 50.3 Cg_exo -55.12 138.05 78.01 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.851 2.367 . . . . 10.0 112.387 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 50.1 Cg_exo -55.58 -24.71 46.22 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.228 2.619 . . . . 10.0 113.093 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.05 -29.82 70.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.124 0.488 . . . . 10.0 111.02 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -100.76 5.64 43.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.037 -0.528 . . . . 10.0 110.953 -179.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -96.06 115.28 27.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.664 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.512 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 34.5 mtp180 -109.61 105.08 14.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.107 179.273 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 28.5 mt -90.57 123.33 34.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.008 0.432 . . . . 10.0 111.183 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -118.74 132.67 67.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.31 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.404 ' CB ' HD21 ' B' ' 50' ' ' LEU . 62.5 t80 -121.25 112.92 19.22 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.914 -0.585 . . . . 10.0 109.699 179.211 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.35 22.81 8.21 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.716 -0.674 . . . . 10.0 112.641 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.61 0.59 43.07 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.594 -0.812 . . . . 10.0 113.792 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.454 ' HZ2' ' C ' ' A' ' 76' ' ' GLY . 0.6 OUTLIER -117.99 146.36 44.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 117.145 0.472 . . . . 10.0 110.401 179.742 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.418 HE21 ' HB3' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -84.08 142.56 30.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.94 0.4 . . . . 10.0 110.941 -179.527 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.404 HD21 ' CB ' ' B' ' 45' ' ' PHE . 30.8 mt -95.48 123.91 39.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.081 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.46 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 15.6 mt-10 -76.73 142.37 40.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.31 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.13 -54.33 21.41 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.951 0.723 . . . . 10.0 112.951 -178.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.59 51.38 4.4 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.001 -0.618 . . . . 10.0 113.99 -178.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.46 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 31.4 mmt180 -135.86 158.08 45.29 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.978 -0.379 . . . . 10.0 109.978 179.309 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.443 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 23.5 p -101.59 163.12 12.42 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.545 HD12 ' O ' ' B' ' 18' ' ' GLU . 90.4 mt -64.43 -29.93 70.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.008 0.432 . . . . 10.0 110.663 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 5.1 p -75.26 -16.45 60.45 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.877 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' B' ' 55' ' ' THR . 17.2 m-20 -68.71 -28.02 66.47 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.145 0.498 . . . . 10.0 110.612 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -108.45 16.15 23.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.601 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 57.63 33.81 23.71 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.537 -0.756 . . . . 10.0 112.161 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 76.2 mt -76.18 115.63 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 N-CA-C 109.581 -0.526 . . . . 10.0 109.581 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -101.18 -173.86 2.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.461 -178.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 44.1 pttt -66.43 137.63 56.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.658 -0.701 . . . . 10.0 111.131 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 61.91 65.01 0.94 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.915 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.0 m -119.41 146.78 45.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.563 -0.744 . . . . 10.0 110.453 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 92.5 m -91.02 127.9 36.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.979 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -119.26 137.61 53.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.474 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -102.28 120.83 41.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.875 0.369 . . . . 10.0 110.837 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 55.2 tp -102.02 97.62 7.93 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.891 -0.411 . . . . 10.0 109.891 179.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.512 ' HB ' ' HB2' ' B' ' 42' ' ' ARG . 70.1 t -76.57 119.47 24.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.278 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 27.6 mt -78.21 130.91 36.86 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.249 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.87 147.62 49.41 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.888 HD11 HG12 ' D' ' 488' ' ' ILE . 1.8 pp -131.11 162.37 30.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.749 0.309 . . . . 10.0 110.553 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 17.6 ptt180 -115.42 -29.09 6.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.364 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 118.0 44.89 0.52 Allowed Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.621 -0.718 . . . . 10.0 111.525 -179.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 119.205 -0.775 . . . . 10.0 111.214 -179.634 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 120.435 0.16 . . . . 10.0 110.682 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 68.55 13.53 8.96 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 122.984 0.513 . . . . 10.0 111.892 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.98 -51.99 65.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.978 0.418 . . . . 10.0 111.048 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 456' ' ' GLN . . . . . 0.482 ' O ' ' HB2' ' D' ' 460' ' ' MET . 69.8 mm-40 -66.77 -34.61 78.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.969 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.1 -49.02 66.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.788 0.327 . . . . 10.0 110.417 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -63.72 -42.88 97.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.561 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.79 -41.35 97.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.892 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 460' ' ' MET . . . . . 0.482 ' HB2' ' O ' ' D' ' 456' ' ' GLN . 9.5 ttm -64.76 -40.5 95.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.185 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -66.85 -30.17 70.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.865 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 53.3 t60 -60.94 -34.74 75.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.901 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -66.39 -38.62 87.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.847 179.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 57.5 mt -72.51 -35.4 51.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.706 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 41.8 tp60 -60.23 -31.17 69.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.05 0.453 . . . . 10.0 110.74 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -80.57 -23.8 39.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.805 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 467' ' ' MET . . . . . 0.562 ' HG3' HD23 ' B' ' 8' ' ' LEU . 87.6 mmm -87.94 -33.79 18.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.832 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 468' ' ' PHE . . . . . 0.449 ' O ' HG12 ' D' ' 471' ' ' VAL . 0.1 OUTLIER -123.96 81.79 56.26 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.869 179.548 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -76.69 44.06 1.35 Allowed 'Trans proline' 0 CA--C 1.529 0.24 0 C-N-CA 123.134 2.556 . . . . 10.0 113.039 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -156.68 24.98 0.33 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.831 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 471' ' ' VAL . . . . . 0.449 HG12 ' O ' ' D' ' 468' ' ' PHE . 12.0 p -128.81 134.54 26.42 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.476 -0.329 . . . . 10.0 110.459 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 472' ' ' PRO . . . . . 0.442 ' O ' HG23 ' D' ' 476' ' ' VAL . 32.4 Cg_exo -61.37 127.25 21.39 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.719 2.279 . . . . 10.0 112.09 179.179 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -52.71 -45.0 66.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.611 -0.722 . . . . 10.0 112.559 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 31.5 p-80 -62.92 -31.73 72.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.631 0.253 . . . . 10.0 111.572 -178.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 475' ' ' LEU . . . . . 0.442 HD12 ' HG2' ' D' ' 472' ' ' PRO . 13.2 mt -74.8 -31.6 61.76 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.857 -0.337 . . . . 10.0 110.191 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 476' ' ' VAL . . . . . 0.442 HG23 ' O ' ' D' ' 472' ' ' PRO . 35.5 t -67.92 -41.3 84.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 108.673 -0.862 . . . . 10.0 108.673 178.006 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.22 -28.7 70.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.342 -0.845 . . . . 10.0 110.445 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -62.53 -57.68 10.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.422 179.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 479' ' ' ASP . . . . . 0.49 ' HB3' HG23 ' D' ' 489' ' ' THR . 12.6 t70 -64.87 -34.55 78.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.511 -179.476 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.11 -28.9 66.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.146 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -85.7 -9.33 57.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.145 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 482' ' ' LEU . . . . . 0.483 HD13 ' HA ' ' D' ' 482' ' ' LEU . 2.1 mm? -105.92 -51.9 2.9 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.779 0.289 . . . . 10.0 111.779 -179.144 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 69.5 p -89.22 -37.2 15.16 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.598 0.222 . . . . 10.0 111.598 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 63.82 33.42 12.73 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.131 -0.486 . . . . 10.0 112.006 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 485' ' ' SER . . . . . 0.466 ' OG ' HG13 ' D' ' 488' ' ' ILE . 1.1 t -147.17 132.0 18.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.522 -0.308 . . . . 10.0 110.171 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 18.5 m -63.7 -36.21 75.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.23 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -66.16 -47.05 75.25 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.837 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 488' ' ' ILE . . . . . 0.888 HG12 HD11 ' B' ' 73' ' ' LEU . 14.5 mt -69.03 -43.31 82.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 121.045 -0.262 . . . . 10.0 111.478 -179.259 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 489' ' ' THR . . . . . 0.506 ' O ' HG13 ' D' ' 493' ' ' ILE . 90.6 m -61.16 -53.19 60.05 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.897 0.332 . . . . 10.0 111.897 -179.109 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 2.8 m -62.22 -36.95 83.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.844 0.354 . . . . 10.0 110.938 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -68.18 -43.9 77.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.088 0.47 . . . . 10.0 109.957 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 492' ' ' ASN . . . . . 0.413 ' HB3' ' HB3' ' D' ' 497' ' ' ARG . 4.9 m-20 -54.12 -41.86 68.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.454 -0.794 . . . . 10.0 110.664 179.346 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 493' ' ' ILE . . . . . 0.506 HG13 ' O ' ' D' ' 489' ' ' THR . 56.8 mt -61.13 -45.16 99.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.65 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 3.6 mt -66.83 -34.45 77.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.764 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -73.92 -27.02 60.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.929 0.395 . . . . 10.0 110.965 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 111.66 24.24 5.35 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.591 -0.814 . . . . 10.0 112.87 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 497' ' ' ARG . . . . . 0.413 ' HB3' ' HB3' ' D' ' 492' ' ' ASN . 19.3 tpp180 -79.73 -40.49 28.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.238 0.542 . . . . 10.0 109.859 179.35 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 3.1 mp -97.15 127.7 49.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.429 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -61.43 134.01 56.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 20.6 m -83.07 157.83 65.41 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.429 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -66.76 83.63 0.31 Allowed 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.64 2.226 . . . . 10.0 112.335 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -84.01 137.59 40.36 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.242 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -62.11 122.94 11.64 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.743 2.295 . . . . 10.0 112.272 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.01 -0.995 . . . . 10.0 109.804 -179.834 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.549 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 23.3 ptt? . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 110.252 -0.277 . . . . 10.0 110.252 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -104.69 136.37 44.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.593 0.235 . . . . 10.0 110.941 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.5 pt -126.54 158.44 36.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 178.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -118.5 112.73 20.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.746 0.308 . . . . 10.0 111.201 -179.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.8 t -101.74 118.37 48.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.175 -0.466 . . . . 10.0 109.906 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -102.67 135.17 44.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.876 0.369 . . . . 10.0 111.033 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.7 p -101.41 174.61 5.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.674 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.7 mt -73.13 -13.48 61.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.979 0.419 . . . . 10.0 110.887 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 m -87.6 -14.02 41.24 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.107 0.48 . . . . 10.0 110.876 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.72 -13.7 53.53 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.964 -0.636 . . . . 10.0 111.777 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -65.39 121.42 14.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.948 0.404 . . . . 10.0 110.736 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.3 m -103.15 108.6 19.85 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.201 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.2 mt -91.09 126.74 43.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.166 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.6 m -98.32 110.36 22.96 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.697 -0.483 . . . . 10.0 109.697 179.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.8 mt -110.07 149.43 30.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.018 0.437 . . . . 10.0 111.274 -179.045 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -107.4 108.23 19.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.738 -0.664 . . . . 10.0 109.83 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.549 ' O ' ' HG2' ' A' ' 1' ' ' MET . 12.8 m -136.04 -176.98 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.919 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.528 ' O ' HD12 ' A' ' 56' ' ' LEU . 20.0 mm-40 -131.36 153.57 81.67 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 109.066 -0.716 . . . . 10.0 109.066 179.163 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -53.06 -27.88 38.28 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.542 2.161 . . . . 10.0 112.751 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -80.57 7.45 9.98 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.975 -179.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -89.66 150.75 22.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.773 0.32 . . . . 10.0 110.789 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -90.76 148.04 22.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.13 -0.487 . . . . 10.0 110.736 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 51.6 mm -57.44 -39.22 67.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.035 0.445 . . . . 10.0 110.488 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -60.71 -39.18 87.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.64 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -69.86 -38.0 76.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.35 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.4 t -61.88 -43.38 97.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 10.0 109.885 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -63.62 -35.62 81.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.512 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.33 -28.0 68.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.508 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -78.2 -28.69 48.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.844 -0.616 . . . . 10.0 109.819 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 75.0 mt -71.51 -33.99 51.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.031 -0.729 . . . . 10.0 109.031 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -70.64 -27.21 63.88 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.067 178.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -68.08 -36.22 79.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.025 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -88.03 -67.44 0.83 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.338 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -71.08 -59.14 2.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.304 -178.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.09 -4.47 11.35 Favored Glycine 0 C--O 1.229 -0.186 0 C-N-CA 120.878 -0.677 . . . . 10.0 112.149 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 24.1 mt -69.09 126.24 92.6 Favored Pre-proline 0 C--N 1.327 -0.396 0 N-CA-C 110.368 -0.234 . . . . 10.0 110.368 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.454 ' HB2' ' OD1' ' A' ' 39' ' ' ASP . 32.5 Cg_exo -57.27 145.24 88.24 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.657 2.238 . . . . 10.0 112.054 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 24.3 Cg_exo -61.91 -20.66 70.2 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.853 2.369 . . . . 10.0 113.243 -179.069 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.454 ' OD1' ' HB2' ' A' ' 37' ' ' PRO . 24.8 p30 -85.56 -12.08 52.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.906 0.384 . . . . 10.0 110.942 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -106.9 8.23 30.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.977 -0.556 . . . . 10.0 109.897 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 37' ' ' PRO . 77.3 mt-30 -104.12 125.6 50.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.451 -0.795 . . . . 10.0 110.687 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -120.5 95.37 4.7 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 178.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 mt -85.58 132.5 34.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.174 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 86.8 mt -124.44 135.2 64.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.107 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.528 ' HB3' HD21 ' A' ' 50' ' ' LEU . 87.8 t80 -138.0 125.14 21.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.383 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.77 29.03 18.16 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.026 -0.534 . . . . 10.0 112.078 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.5 3.01 86.91 Favored Glycine 0 C--N 1.329 0.167 0 C-N-CA 120.606 -0.807 . . . . 10.0 113.033 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -116.53 146.28 42.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.774 0.321 . . . . 10.0 110.457 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -84.96 138.34 32.54 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.748 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.528 HD21 ' HB3' ' A' ' 45' ' ' PHE . 31.9 mt -86.56 141.42 29.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.957 0.408 . . . . 10.0 111.113 -179.449 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.441 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 5.4 mt-10 -99.84 149.12 23.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.901 -0.59 . . . . 10.0 109.888 179.342 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.88 -43.01 99.72 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.028 0.751 . . . . 10.0 113.028 -178.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 30.83 3.15 Favored Glycine 0 CA--C 1.516 0.155 0 C-N-CA 120.828 -0.701 . . . . 10.0 113.748 -178.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.441 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 22.5 mmt180 -121.35 159.69 25.57 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.806 0.336 . . . . 10.0 110.531 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.426 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 15.7 p -106.03 165.91 10.87 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.49 178.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.528 HD12 ' O ' ' A' ' 18' ' ' GLU . 94.2 mt -65.08 -33.88 77.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.91 0.386 . . . . 10.0 110.205 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.32 -20.64 63.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.286 179.609 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 55' ' ' THR . 14.7 m-20 -65.41 -37.66 87.61 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.009 0.433 . . . . 10.0 110.475 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -98.09 9.96 41.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.563 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 56.9 t30 63.17 29.91 16.01 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.426 -0.806 . . . . 10.0 110.901 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 86.3 mt -74.56 125.09 33.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.815 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -119.83 -163.52 1.0 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.856 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.445 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 61.7 pttt -73.49 148.63 42.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.05 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 68.51 12.13 8.6 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.375 -0.83 . . . . 10.0 112.136 179.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.4 m -78.24 143.39 37.14 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 110.119 -0.326 . . . . 10.0 110.119 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 m -99.75 132.07 45.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.372 -0.377 . . . . 10.0 111.227 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -121.27 135.78 55.07 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 47.6 m80 -98.52 132.61 43.81 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.625 0.25 . . . . 10.0 110.601 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.9 tp -112.42 111.66 22.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.74 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.7 t -98.72 132.77 43.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.894 -0.593 . . . . 10.0 109.896 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 94.5 mt -75.29 141.24 43.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.266 -0.424 . . . . 10.0 111.023 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.7 ttt180 -105.61 106.91 17.63 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.16 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 24.9 mt -105.03 150.4 24.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.496 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.44 ' HD2' ' OE2' ' B' ' 51' ' ' GLU . 16.6 ttp180 -138.2 89.19 2.37 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.162 0.505 . . . . 10.0 110.626 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 137.94 -70.98 0.47 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.956 -0.64 . . . . 10.0 111.662 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.91 0 CA-C-O 118.605 -1.108 . . . . 10.0 112.058 179.527 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.0 ptt? . . . . . 0 N--CA 1.477 0.896 0 N-CA-C 109.527 -0.545 . . . . 10.0 109.527 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -113.37 156.27 23.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.995 0.426 . . . . 10.0 111.19 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.1 pt -133.72 159.91 42.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.5 -0.773 . . . . 10.0 109.817 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -111.15 95.88 5.8 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.973 0.416 . . . . 10.0 110.791 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 40.2 t -81.75 107.29 13.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -101.19 143.41 31.31 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.728 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.3 p -116.18 163.84 15.37 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.583 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.477 HD23 ' HG3' ' D' ' 467' ' ' MET . 10.1 mt -61.89 -20.63 63.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.097 -0.501 . . . . 10.0 111.56 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.29 1.64 52.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.848 0.356 . . . . 10.0 111.63 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.7 23.89 61.38 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.854 -0.688 . . . . 10.0 113.378 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -102.39 121.36 42.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.907 0.353 . . . . 10.0 110.396 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.8 m -97.21 115.55 27.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.906 0.384 . . . . 10.0 110.105 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 mt -109.27 135.24 48.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 120.804 0.335 . . . . 10.0 111.069 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.97 137.58 51.51 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.103 -0.499 . . . . 10.0 109.809 178.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.5 mt -145.34 148.55 33.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.773 0.321 . . . . 10.0 110.962 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -72.11 123.23 22.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.103 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.439 ' HB ' HD11 ' B' ' 56' ' ' LEU . 3.4 m -136.49 142.09 39.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.963 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.577 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 7.8 mm-40 -103.44 162.53 19.73 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 115.879 -0.601 . . . . 10.0 109.901 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -60.19 -32.34 94.32 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 121.959 1.773 . . . . 10.0 111.573 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.48 10.51 27.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.534 -0.757 . . . . 10.0 111.81 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.577 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.3 OUTLIER -74.82 112.44 11.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.578 -0.283 . . . . 10.0 110.31 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.44 145.47 49.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.397 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.4 mm -53.66 -34.95 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.922 0.392 . . . . 10.0 110.661 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -61.07 -36.28 79.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.731 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.435 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 64.4 t30 -77.35 -36.23 53.96 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.781 -0.452 . . . . 10.0 109.781 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.2 t -60.82 -44.99 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.163 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -63.06 -29.03 70.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.842 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.26 -35.01 71.24 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.024 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 40.7 mttt -69.24 -35.16 75.84 Favored 'General case' 0 C--N 1.334 -0.073 0 CA-C-N 116.022 -0.535 . . . . 10.0 109.894 179.163 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 78.7 mt -66.12 -39.17 83.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.792 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -69.84 -23.99 63.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.228 0.537 . . . . 10.0 109.922 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -69.68 -35.18 74.91 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.267 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -93.28 -52.34 4.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.979 -0.555 . . . . 10.0 112.242 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -80.77 -45.17 17.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.911 0.386 . . . . 10.0 111.897 -178.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.53 -18.46 38.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.813 -0.708 . . . . 10.0 112.001 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 74.0 mt -64.13 124.03 84.1 Favored Pre-proline 0 C--N 1.329 -0.325 0 C-N-CA 122.219 0.208 . . . . 10.0 110.524 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 52.7 Cg_exo -54.0 140.35 69.66 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.846 2.364 . . . . 10.0 112.501 179.662 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 41.4 Cg_exo -58.16 -23.71 62.96 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.983 2.455 . . . . 10.0 112.862 -179.674 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -67.27 -26.38 66.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.125 0.488 . . . . 10.0 111.146 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -97.69 6.73 47.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.504 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -100.49 113.42 26.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.262 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.48 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 15.5 ttt180 -109.8 104.67 13.66 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.938 -0.764 . . . . 10.0 108.938 178.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 11.1 mt -89.9 128.63 36.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.458 -177.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -125.81 134.35 66.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.402 -0.817 . . . . 10.0 110.56 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.431 ' HB3' HD21 ' B' ' 50' ' ' LEU . 38.7 t80 -129.44 123.59 31.97 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.996 -0.742 . . . . 10.0 108.996 178.54 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.35 23.56 13.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.848 -0.614 . . . . 10.0 111.367 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.06 10.85 65.82 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.854 -0.688 . . . . 10.0 113.45 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -125.42 152.1 45.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 117.042 0.421 . . . . 10.0 110.954 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -78.69 148.7 33.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.436 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.431 HD21 ' HB3' ' B' ' 45' ' ' PHE . 33.5 mt -105.85 143.01 34.6 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.792 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.44 ' OE2' ' HD2' ' A' ' 74' ' ' ARG . 16.1 mt-10 -85.49 143.99 28.21 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 178.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.23 -38.3 79.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.772 0.32 . . . . 10.0 111.813 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.08 46.32 3.06 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 121.022 -0.608 . . . . 10.0 113.048 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.431 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 21.8 mmt180 -128.4 158.09 39.25 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.366 -0.235 . . . . 10.0 110.366 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 7.1 p -108.28 168.91 8.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.319 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.439 HD11 ' HB ' ' B' ' 17' ' ' VAL . 85.4 mt -65.22 -40.22 93.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.05 0.453 . . . . 10.0 111.106 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.39 -16.39 62.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.685 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -68.3 -36.85 79.97 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.053 0.454 . . . . 10.0 110.601 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -100.25 14.66 30.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.052 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 64.9 t30 57.12 47.5 17.14 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.158 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.0 mt -82.4 116.57 26.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -91.74 -178.36 5.03 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.472 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -76.06 150.64 37.28 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.261 -0.274 . . . . 10.0 110.261 179.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 62.14 35.12 15.86 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 123.564 0.54 . . . . 10.0 111.502 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 26.6 m -96.53 147.28 24.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.938 0.399 . . . . 10.0 110.813 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 49.0 m -87.27 129.04 35.14 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.789 -0.641 . . . . 10.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 4.2 mp -110.82 123.96 51.1 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.57 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 34.5 m80 -88.08 112.58 22.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.046 0.451 . . . . 10.0 111.045 -179.145 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 53.8 tp -100.69 96.79 7.57 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.045 -0.525 . . . . 10.0 109.906 179.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.48 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 89.0 t -77.31 127.01 38.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.249 -179.34 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 30.2 mt -90.07 141.22 28.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.679 -0.691 . . . . 10.0 109.69 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.73 155.91 42.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.772 0.32 . . . . 10.0 111.008 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -106.43 145.13 32.15 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.821 -0.437 . . . . 10.0 109.821 179.072 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' B' ' 74' ' ' ARG . 9.2 mmm180 -118.57 -34.91 3.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.523 -178.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.5 -59.41 2.22 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.645 -0.788 . . . . 10.0 111.844 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.175 0 CA-C-O 118.888 -0.951 . . . . 10.0 111.827 179.635 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.477 0.885 0 CA-C-O 120.423 0.154 . . . . 10.0 110.679 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 65.26 20.52 11.91 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.224 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.72 -44.48 85.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 10.0 111.276 -179.054 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -65.4 -40.46 93.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.888 0.375 . . . . 10.0 110.486 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 84.8 mt -68.75 -38.13 79.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.222 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -65.33 -47.86 75.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.922 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.25 -33.97 76.65 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.798 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 22.2 ttm -68.44 -39.04 81.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.247 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -66.23 -34.49 78.12 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.193 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -57.1 -35.53 69.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.542 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -65.21 -40.03 93.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.517 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 32.8 mt -77.33 -28.62 16.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.611 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -65.18 -26.98 68.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.082 0.467 . . . . 10.0 110.149 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -82.54 -23.71 34.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.784 -0.643 . . . . 10.0 110.269 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 467' ' ' MET . . . . . 0.57 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 27.4 mmm -86.08 -36.55 19.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.354 -0.839 . . . . 10.0 110.579 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 468' ' ' PHE . . . . . 0.446 ' O ' HG12 ' D' ' 471' ' ' VAL . 8.8 m-85 -126.72 80.8 69.91 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.389 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -76.78 32.46 0.42 Allowed 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 122.609 2.206 . . . . 10.0 112.744 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -134.27 10.12 3.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.029 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 471' ' ' VAL . . . . . 0.446 HG12 ' O ' ' D' ' 468' ' ' PHE . 13.9 p -122.18 135.6 25.59 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.359 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 472' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -58.25 135.08 65.85 Favored 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 122.677 2.251 . . . . 10.0 112.713 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -56.12 -41.48 75.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.506 -0.77 . . . . 10.0 112.542 -178.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 40.2 p-80 -64.46 -30.89 71.92 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.689 0.255 . . . . 10.0 111.689 -178.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 475' ' ' LEU . . . . . 0.404 ' O ' ' HB3' ' D' ' 478' ' ' GLN . 31.0 mt -74.78 -32.84 62.14 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.753 0.311 . . . . 10.0 110.476 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 34.8 t -68.73 -42.76 83.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 108.951 -0.759 . . . . 10.0 108.951 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 2.3 mt -66.03 -22.5 66.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.364 -0.835 . . . . 10.0 110.93 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 478' ' ' GLN . . . . . 0.404 ' HB3' ' O ' ' D' ' 475' ' ' LEU . 32.0 tt0 -65.65 -50.76 63.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.288 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 479' ' ' ASP . . . . . 0.561 ' HB3' HG23 ' D' ' 489' ' ' THR . 14.7 t70 -69.47 -32.81 71.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.222 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 480' ' ' LEU . . . . . 0.568 ' O ' ' HG3' ' D' ' 484' ' ' ARG . 0.3 OUTLIER -61.35 -22.33 64.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.824 179.255 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -91.81 4.47 52.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.143 -0.481 . . . . 10.0 111.021 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.14 -48.27 1.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.809 0.337 . . . . 10.0 110.853 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 67.7 p -93.5 -42.89 8.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.476 -0.329 . . . . 10.0 111.196 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 484' ' ' ARG . . . . . 0.568 ' HG3' ' O ' ' D' ' 480' ' ' LEU . 1.8 mpt_? 64.74 35.78 8.55 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.782 -0.645 . . . . 10.0 111.294 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 4.0 t -151.53 129.67 11.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.78 0.324 . . . . 10.0 110.988 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 35.1 m -68.37 -26.11 32.97 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-O 121.038 0.447 . . . . 10.0 110.465 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -74.23 -5.35 41.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.741 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 40.7 mt -117.0 -51.81 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.857 179.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 489' ' ' THR . . . . . 0.561 HG23 ' HB3' ' D' ' 479' ' ' ASP . 46.0 m -52.98 -48.33 67.54 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.675 0.62 . . . . 10.0 112.675 -179.169 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 1.4 m -60.98 -41.93 97.37 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.675 0.25 . . . . 10.0 111.675 -178.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -71.1 -36.74 72.31 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -56.32 -40.26 74.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.237 -0.892 . . . . 10.0 110.641 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 493' ' ' ILE . . . . . 0.445 HG13 ' O ' ' D' ' 489' ' ' THR . 75.4 mt -66.46 -40.97 87.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.775 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 12.3 mt -65.9 -38.09 87.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.486 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -73.02 -43.97 61.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.1 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 124.47 32.03 0.86 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.561 -0.828 . . . . 10.0 112.139 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -84.27 -28.8 26.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.438 0.637 . . . . 10.0 109.465 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 3.7 mp -108.27 136.36 44.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.189 -0.914 . . . . 10.0 109.325 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -61.41 125.76 24.91 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.328 0.393 . . . . 10.0 111.045 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 26.3 m -94.46 158.85 34.93 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.718 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.1 114.76 2.15 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.415 2.076 . . . . 10.0 111.817 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -129.67 136.32 28.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.011 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -65.41 103.44 0.54 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.488 2.126 . . . . 10.0 112.285 179.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.252 1.207 0 CA-C-O 118.136 -0.935 . . . . 10.0 109.819 -179.854 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 120.801 0.334 . . . . 10.0 110.214 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -104.05 142.56 34.24 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.553 -0.294 . . . . 10.0 110.956 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.4 pt -132.75 166.17 30.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.508 -0.552 . . . . 10.0 109.508 178.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.494 ' O ' ' HA ' ' A' ' 66' ' ' THR . 43.1 m-85 -120.87 131.41 54.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.562 0.22 . . . . 10.0 110.565 -179.262 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 63.2 t -115.83 124.33 72.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.97 -0.382 . . . . 10.0 109.97 179.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.1 tttp -104.27 129.59 52.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.99 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.71 167.36 11.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.093 -0.503 . . . . 10.0 109.99 179.299 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.9 mt -60.36 -27.6 67.52 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 111.847 0.314 . . . . 10.0 111.847 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.6 p -77.01 -14.28 59.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.95 0.405 . . . . 10.0 111.563 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.44 -9.84 42.04 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.925 -0.655 . . . . 10.0 111.712 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -62.69 139.9 58.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.676 0.274 . . . . 10.0 110.846 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -120.83 117.85 28.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.519 -0.309 . . . . 10.0 110.296 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mp -108.54 134.43 50.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.585 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.97 137.26 32.5 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.789 -0.449 . . . . 10.0 109.789 179.054 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.445 HD11 HG12 ' A' ' 30' ' ' ILE . 92.8 mt -133.74 142.8 48.11 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.994 0.426 . . . . 10.0 111.52 -179.553 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -98.33 112.41 24.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.628 -0.714 . . . . 10.0 109.263 178.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.6 m -138.05 -175.56 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.912 -0.585 . . . . 10.0 109.852 -179.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.502 ' O ' HD12 ' A' ' 56' ' ' LEU . 7.2 mm-40 -139.55 154.04 71.04 Favored Pre-proline 0 C--N 1.316 -0.864 0 N-CA-C 108.754 -0.832 . . . . 10.0 108.754 178.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.0 -29.96 56.98 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.01 1.807 . . . . 10.0 112.338 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 p -83.57 -0.34 49.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.849 -0.614 . . . . 10.0 112.158 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -76.5 142.46 40.9 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.018 0.437 . . . . 10.0 110.571 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.4 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -83.21 146.66 28.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.55 179.639 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.584 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 46.3 mm -56.81 -42.58 78.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.859 0.361 . . . . 10.0 110.298 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -62.1 -35.8 79.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.896 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -67.28 -32.8 74.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.05 0.452 . . . . 10.0 109.795 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 22' ' ' THR . 53.8 t -69.78 -34.94 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.403 178.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 10.3 mmmm -59.66 -39.35 84.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.609 179.146 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.9 -33.48 75.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.511 -0.768 . . . . 10.0 110.605 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -70.51 -40.89 73.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.815 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.445 HG12 HD11 ' A' ' 15' ' ' LEU . 71.4 mt -67.66 -39.4 82.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.932 -0.576 . . . . 10.0 109.604 178.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -62.41 -36.0 80.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.584 -0.735 . . . . 10.0 111.214 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.1 -33.41 75.95 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.479 -0.328 . . . . 10.0 111.66 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -92.67 -55.29 3.43 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.163 0.431 . . . . 10.0 112.163 -178.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -72.26 -32.25 66.5 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.441 0.534 . . . . 10.0 112.441 -178.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.63 9.84 84.13 Favored Glycine 0 C--O 1.229 -0.188 0 C-N-CA 120.482 -0.866 . . . . 10.0 111.362 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.4 mt -95.1 128.27 39.53 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.51 -0.345 . . . . 10.0 110.252 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.17 145.59 53.45 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.679 2.253 . . . . 10.0 112.357 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.41 -22.64 59.61 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.038 2.492 . . . . 10.0 112.585 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -70.19 -31.02 68.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.727 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -89.56 -8.86 51.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.899 -0.591 . . . . 10.0 111.329 -179.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.4 ' HB2' ' CE ' ' A' ' 27' ' ' LYS . 78.6 mt-30 -88.41 105.54 17.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.389 -179.307 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.409 ' HB3' ' HB ' ' A' ' 70' ' ' VAL . 11.3 ttt180 -105.22 98.25 7.98 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.198 -0.667 . . . . 10.0 109.198 178.45 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.423 ' HB3' HD12 ' A' ' 50' ' ' LEU . 29.7 mt -84.12 131.45 34.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.829 -179.094 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 83.4 mt -132.24 135.04 58.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.666 -0.697 . . . . 10.0 109.977 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.482 ' HB3' HD21 ' A' ' 50' ' ' LEU . 70.7 t80 -138.38 126.09 22.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.334 -0.394 . . . . 10.0 109.954 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.01 26.89 16.24 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.489 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.55 -2.88 87.83 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 116.012 -0.54 . . . . 10.0 112.65 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -103.61 138.7 39.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.77 0.319 . . . . 10.0 110.588 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -78.72 133.09 37.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.21 -0.45 . . . . 10.0 109.811 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.482 HD21 ' HB3' ' A' ' 45' ' ' PHE . 25.6 mt -88.85 119.13 29.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.993 0.425 . . . . 10.0 111.209 -179.132 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.69 136.81 36.25 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.331 179.002 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.3 -33.27 67.51 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.519 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.48 48.41 3.56 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.98 -0.628 . . . . 10.0 112.892 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.9 mmt-85 -144.42 170.61 15.69 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.7 p -113.81 167.6 10.5 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.91 -0.404 . . . . 10.0 109.91 178.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.502 HD12 ' O ' ' A' ' 18' ' ' GLU . 57.1 mt -64.58 -33.64 76.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.045 0.45 . . . . 10.0 110.412 179.622 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -27.7 69.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.645 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -65.82 -38.71 89.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.722 -178.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -96.77 9.5 41.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.536 -0.302 . . . . 10.0 111.102 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 61.0 36.21 18.69 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.794 0.684 . . . . 10.0 110.899 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 83.3 mt -78.69 107.1 10.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.175 0.512 . . . . 10.0 110.283 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -86.87 -175.01 5.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.464 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -76.5 153.5 35.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.739 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 60.34 32.54 20.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.762 -0.654 . . . . 10.0 112.189 179.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.6 m -95.42 144.13 26.19 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.966 -0.383 . . . . 10.0 109.966 178.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.494 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 53.4 m -98.33 121.44 40.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.972 0.415 . . . . 10.0 110.868 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.0 mp -104.85 149.14 25.92 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.188 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -98.35 134.93 40.67 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.144 -0.317 . . . . 10.0 110.144 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.3 tp -119.64 109.41 15.64 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.992 0.425 . . . . 10.0 110.688 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.409 ' HB ' ' HB3' ' A' ' 42' ' ' ARG . 15.5 t -100.1 143.05 14.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.028 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.5 mt -95.06 159.67 14.91 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 110.139 -0.319 . . . . 10.0 110.139 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -133.67 139.87 46.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.037 0.446 . . . . 10.0 111.039 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.3 mt -109.08 171.83 7.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.866 -0.606 . . . . 10.0 109.549 179.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 70.4 mtt-85 -128.03 -73.62 0.59 Allowed 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.916 -0.313 . . . . 10.0 111.594 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.93 96.37 1.89 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.793 -0.718 . . . . 10.0 112.955 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.594 -1.114 . . . . 10.0 111.688 179.756 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 110.136 -0.32 . . . . 10.0 110.136 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -114.75 137.41 51.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.632 0.253 . . . . 10.0 111.017 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 25.2 pt -127.29 161.75 33.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.425 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -113.28 125.91 54.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 43.0 t -110.81 122.33 65.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.44 ' HD3' ' SD ' ' D' ' 467' ' ' MET . 19.0 tttp -104.69 144.01 32.3 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.861 -179.509 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.2 p -119.1 169.08 10.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.694 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.404 HD21 ' CG2' ' D' ' 490' ' ' THR . 60.9 mt -65.4 -22.02 66.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.825 -179.516 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.6 p -80.25 -10.32 59.75 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.974 0.416 . . . . 10.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.79 -6.6 62.6 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.045 -0.597 . . . . 10.0 112.305 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -69.15 126.84 31.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.888 0.375 . . . . 10.0 110.835 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.86 110.66 22.49 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.749 179.29 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.4 mt -104.51 142.01 18.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.497 -0.32 . . . . 10.0 111.083 -178.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -106.75 129.25 54.66 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 178.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 94.4 mt -126.8 142.28 51.59 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.172 0.51 . . . . 10.0 111.98 -178.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -85.25 115.15 22.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.303 -0.862 . . . . 10.0 109.786 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 17.1 m -135.46 176.13 9.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.35 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.462 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 6.6 mm-40 -138.84 162.35 53.21 Favored Pre-proline 0 C--N 1.316 -0.856 0 N-CA-C 108.923 -0.769 . . . . 10.0 108.923 179.077 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.516 ' O ' ' HB ' ' B' ' 55' ' ' THR . 50.5 Cg_exo -54.43 -35.87 86.15 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.084 1.856 . . . . 10.0 112.552 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.88 -7.53 58.02 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.339 0.496 . . . . 10.0 112.339 -179.384 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.8 OUTLIER -66.29 122.67 18.02 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 110.07 -0.345 . . . . 10.0 110.07 -179.546 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.8 143.72 41.74 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.043 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 48.3 mm -52.88 -36.71 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 O-C-N 123.291 0.37 . . . . 10.0 111.365 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -62.68 -43.81 97.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.966 0.412 . . . . 10.0 110.672 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.472 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 63.2 t30 -63.46 -36.04 82.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.61 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 41.5 t -61.5 -41.85 91.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.066 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -66.8 -32.3 73.49 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.33 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.96 -35.21 80.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.257 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 26.7 mttt -66.52 -38.16 86.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.703 178.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 62.4 mt -69.14 -33.48 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.587 -0.733 . . . . 10.0 109.949 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -66.84 -31.93 72.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.878 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -82.34 -38.76 23.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.797 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -73.0 -53.63 10.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.88 -0.6 . . . . 10.0 112.425 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -93.65 -46.9 7.05 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.765 0.283 . . . . 10.0 111.765 -178.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.33 -3.13 25.16 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.529 -0.843 . . . . 10.0 111.906 -179.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 64.1 mt -72.36 127.34 90.31 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.636 -0.282 . . . . 10.0 110.272 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -57.91 141.97 96.25 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.537 2.158 . . . . 10.0 112.001 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -59.82 -26.33 81.93 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.389 2.06 . . . . 10.0 111.997 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -66.17 -19.74 65.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.544 -0.753 . . . . 10.0 111.395 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -108.36 11.6 26.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.881 0.372 . . . . 10.0 110.759 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -106.93 106.55 17.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.337 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.408 ' O ' ' HB ' ' B' ' 70' ' ' VAL . 53.4 mtp180 -108.54 100.14 9.44 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.956 -0.757 . . . . 10.0 108.956 178.132 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 15.9 mt -79.35 121.74 25.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.054 0.454 . . . . 10.0 111.461 -178.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -117.83 133.34 64.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.452 -0.794 . . . . 10.0 110.202 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.61 ' HB3' HD21 ' B' ' 50' ' ' LEU . 81.8 t80 -132.45 120.74 22.36 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.11 -0.7 . . . . 10.0 109.11 178.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.25 16.48 10.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.766 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.16 -3.59 55.12 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 120.814 -0.707 . . . . 10.0 113.604 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' B' ' 45' ' ' PHE . 9.9 ptmt -117.26 156.37 27.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 117.185 0.492 . . . . 10.0 110.849 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -86.63 146.38 26.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.709 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.61 HD21 ' HB3' ' B' ' 45' ' ' PHE . 19.7 mt -97.62 132.88 42.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.364 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.486 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 36.1 mt-10 -81.91 149.88 28.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.115 179.513 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.14 -35.37 80.3 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.037 0.384 . . . . 10.0 112.037 -178.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.71 28.89 3.42 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 120.916 -0.659 . . . . 10.0 113.512 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.486 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 16.4 mmt180 -128.16 164.72 21.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 117.165 0.483 . . . . 10.0 110.143 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.516 ' HB ' ' O ' ' B' ' 19' ' ' PRO . 11.9 p -111.36 169.59 8.69 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.048 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 21.7 mt -67.25 -33.85 76.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.921 0.391 . . . . 10.0 111.261 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -22.04 63.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.403 -0.362 . . . . 10.0 111.27 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -63.45 -45.47 90.71 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 121.009 0.433 . . . . 10.0 110.957 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -87.28 15.31 6.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.38 -179.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 t30 59.84 40.19 19.65 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.379 0.609 . . . . 10.0 110.921 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 61.9 mt -93.24 128.49 44.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.771 -0.65 . . . . 10.0 110.031 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -118.65 -164.69 1.05 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.3 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -73.03 156.92 38.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.685 -0.234 . . . . 10.0 110.756 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 68.5 9.94 7.58 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.75 0.657 . . . . 10.0 112.119 178.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 14.8 m -82.77 147.73 28.24 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.304 -0.258 . . . . 10.0 110.304 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.0 m -106.15 128.66 54.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.47 -0.332 . . . . 10.0 111.159 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -108.16 135.62 49.19 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.822 -0.626 . . . . 10.0 109.468 179.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.476 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 33.5 m80 -89.96 113.66 25.35 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.872 -179.426 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 49.0 tp -91.18 90.92 8.0 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.693 -0.484 . . . . 10.0 109.693 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.833 HG13 ' HB ' ' D' ' 490' ' ' THR . 25.2 t -76.37 113.35 15.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.035 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 51.5 mt -81.96 138.59 34.92 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.888 -0.782 . . . . 10.0 108.888 178.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.83 162.09 36.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.033 0.444 . . . . 10.0 111.349 -179.619 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.12 174.13 7.43 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.482 -0.781 . . . . 10.0 109.022 179.248 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -122.02 25.23 9.2 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.411 0.624 . . . . 10.0 109.518 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -177.56 54.05 0.1 OUTLIER Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.331 -0.85 . . . . 10.0 111.413 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.169 0 CA-C-O 119.022 -0.877 . . . . 10.0 111.895 -179.522 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 4.4 p . . . . . 0 N--CA 1.477 0.91 0 CA-C-O 120.683 0.278 . . . . 10.0 110.542 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 62.59 23.64 14.06 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.277 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.32 -47.99 79.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.015 0.436 . . . . 10.0 110.888 -179.306 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -67.79 -36.68 80.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.679 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 70.9 mt -66.18 -40.79 90.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.463 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -61.55 -48.43 81.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.627 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.74 -44.18 94.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.692 -0.686 . . . . 10.0 111.263 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 56.8 mtm -64.59 -34.65 78.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.969 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.87 -38.79 92.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.948 0.404 . . . . 10.0 110.108 179.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -62.03 -37.69 85.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.94 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -58.74 -45.71 89.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.521 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 464' ' ' ILE . . . . . 0.548 HD11 HG12 ' D' ' 486' ' ' VAL . 40.7 mt -72.34 -32.08 41.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.72 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 50.8 tp60 -60.83 -36.01 77.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.007 0.432 . . . . 10.0 110.782 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -81.31 -7.69 59.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.718 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 467' ' ' MET . . . . . 0.476 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 86.3 mmm -99.22 -32.47 11.2 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.311 0.577 . . . . 10.0 110.174 179.491 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 468' ' ' PHE . . . . . 0.437 ' O ' HG12 ' D' ' 471' ' ' VAL . 2.3 m-85 -129.11 84.93 61.26 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.948 -0.569 . . . . 10.0 109.982 179.156 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.06 37.29 0.58 Allowed 'Trans proline' 0 CA--C 1.531 0.332 0 C-N-CA 122.584 2.189 . . . . 10.0 113.194 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -140.37 12.53 2.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.929 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 471' ' ' VAL . . . . . 0.437 HG12 ' O ' ' D' ' 468' ' ' PHE . 9.4 p -125.04 133.81 25.15 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.51 -0.313 . . . . 10.0 110.43 -179.545 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 472' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.53 136.4 67.15 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.785 2.323 . . . . 10.0 112.406 179.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -55.59 -42.61 75.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.844 -0.616 . . . . 10.0 112.294 -178.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 34.8 p-80 -66.06 -27.99 68.5 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.133 -0.227 . . . . 10.0 111.584 -179.156 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 14.2 mt -74.88 -34.99 62.3 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.803 -0.443 . . . . 10.0 109.803 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 48.2 t -67.86 -43.01 86.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.389 0.614 . . . . 10.0 109.665 178.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 477' ' ' LEU . . . . . 0.451 ' O ' ' HG3' ' D' ' 481' ' ' GLN . 9.4 mt -62.38 -26.58 68.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.337 -0.847 . . . . 10.0 111.03 179.522 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -67.46 -48.7 66.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.403 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -63.75 -38.07 89.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.464 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -59.63 -19.7 50.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.739 -0.664 . . . . 10.0 112.116 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 481' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' D' ' 477' ' ' LEU . 74.9 mt-30 -86.8 -18.94 29.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.52 0.2 . . . . 10.0 110.967 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -102.68 -45.94 4.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.515 -0.311 . . . . 10.0 111.375 -179.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 65.3 p -85.48 -49.91 7.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.72 0.295 . . . . 10.0 111.07 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 484' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' D' ' 484' ' ' ARG . 33.2 mtt180 68.56 19.03 8.8 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.271 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 2.7 m -141.14 116.37 10.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.555 -0.748 . . . . 10.0 109.58 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 486' ' ' VAL . . . . . 0.548 HG12 HD11 ' D' ' 464' ' ' ILE . 16.9 m -58.73 -28.87 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 112.273 0.471 . . . . 10.0 112.273 -178.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -66.1 -19.36 65.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.329 . . . . 10.0 111.742 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 23.0 mt -95.53 -38.56 8.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.668 0.271 . . . . 10.0 110.57 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 6.8 m -57.68 -41.31 81.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.914 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 490' ' ' THR . . . . . 0.833 ' HB ' HG13 ' B' ' 70' ' ' VAL . 0.2 OUTLIER -59.82 -50.0 75.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.877 0.37 . . . . 10.0 111.34 -179.861 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 491' ' ' ASP . . . . . 0.561 ' O ' ' HG2' ' D' ' 495' ' ' GLU . 2.6 t70 -66.2 -39.79 89.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.82 -0.627 . . . . 10.0 109.994 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -54.23 -41.41 68.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.5 -0.773 . . . . 10.0 111.437 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 98.3 mt -66.85 -44.36 89.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.294 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 1.9 mt -66.17 -37.6 86.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.394 -0.367 . . . . 10.0 111.671 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 495' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' D' ' 491' ' ' ASP . 40.3 mm-40 -70.74 -59.23 2.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.906 0.384 . . . . 10.0 110.753 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 145.28 26.1 0.1 Allowed Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.274 -0.965 . . . . 10.0 112.979 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -76.79 -39.23 52.21 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 39.4 mt -107.87 109.74 29.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.288 179.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -65.66 127.04 30.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.354 -179.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 26.8 m -72.45 160.7 82.11 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.521 -0.763 . . . . 10.0 110.489 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.98 100.53 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.698 2.266 . . . . 10.0 112.479 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -105.62 133.27 20.26 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.822 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -63.66 117.59 4.56 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.577 2.185 . . . . 10.0 112.162 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.332 -0.842 . . . . 10.0 110.116 -179.772 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.465 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 22.2 ptt? . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 109.996 -0.372 . . . . 10.0 109.996 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -101.82 138.31 38.96 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.913 0.387 . . . . 10.0 111.998 -178.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.1 pt -123.7 161.35 26.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.017 -0.734 . . . . 10.0 109.017 178.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.463 ' O ' ' HA ' ' A' ' 66' ' ' THR . 95.3 m-85 -117.93 113.03 21.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.983 0.42 . . . . 10.0 111.282 -178.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.2 t -103.74 122.62 56.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.756 -0.461 . . . . 10.0 109.756 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -101.6 131.69 47.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.066 0.46 . . . . 10.0 111.599 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.2 164.54 14.93 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.892 179.209 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.472 HD11 ' H ' ' A' ' 71' ' ' LEU . 65.4 mt -63.74 -26.61 68.73 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.902 0.334 . . . . 10.0 111.902 -179.424 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.55 -13.41 60.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.732 0.301 . . . . 10.0 111.602 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.09 -7.83 35.57 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.845 -0.693 . . . . 10.0 112.242 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -69.28 148.2 50.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.854 0.359 . . . . 10.0 111.042 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -119.35 129.87 55.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.154 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.4 mt -113.12 134.66 55.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.995 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.77 125.27 45.65 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.394 179.228 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.6 mt -123.72 139.79 53.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.992 0.425 . . . . 10.0 111.405 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -97.48 103.14 15.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.476 -0.784 . . . . 10.0 108.986 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.465 ' O ' ' HG2' ' A' ' 1' ' ' MET . 15.6 m -132.27 174.63 12.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.358 -178.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.48 ' O ' HD12 ' A' ' 56' ' ' LEU . 74.4 mm-40 -128.78 156.12 78.2 Favored Pre-proline 0 C--N 1.32 -0.696 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 179.123 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -49.86 -38.28 47.39 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 122.804 2.336 . . . . 10.0 113.684 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 m -83.4 12.42 5.52 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.443 0.534 . . . . 10.0 112.443 -179.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 5.1 t0 -81.4 142.24 33.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.9 0.381 . . . . 10.0 110.309 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.29 144.08 30.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.944 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 54' ' ' ARG . 47.6 mm -58.7 -41.57 82.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.795 0.331 . . . . 10.0 110.439 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -58.35 -36.84 74.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.428 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.472 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 64.9 t30 -68.01 -38.73 82.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.992 179.505 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.0 t -63.37 -41.19 91.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.941 179.111 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -60.15 -39.94 88.12 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.065 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.18 -37.83 88.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.573 -0.74 . . . . 10.0 110.582 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 86.0 mttt -64.94 -34.96 79.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.34 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 79.6 mt -70.1 -39.46 77.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 116.152 -0.476 . . . . 10.0 109.981 178.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -63.57 -41.06 98.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.647 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -64.1 -26.67 68.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.359 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -91.84 -61.52 1.61 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.708 0.632 . . . . 10.0 112.708 -179.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -86.34 -22.27 26.79 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.442 0.904 . . . . 10.0 113.442 -177.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.57 46.26 7.45 Favored Glycine 0 C--N 1.324 -0.123 0 C-N-CA 120.455 -0.878 . . . . 10.0 112.244 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.0 mt -118.96 123.96 28.61 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 110.208 -0.293 . . . . 10.0 110.208 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.402 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 73.8 Cg_exo -49.75 131.0 28.13 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.885 2.39 . . . . 10.0 112.175 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 50.6 Cg_exo -53.94 -37.73 85.92 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.099 2.533 . . . . 10.0 112.919 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.37 -15.03 63.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.999 0.428 . . . . 10.0 111.48 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -100.27 -4.03 30.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.076 -179.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -91.72 132.34 36.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.179 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -122.32 96.18 4.94 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 178.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 69.9 mt -87.62 117.38 26.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.699 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mp -119.07 132.3 69.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.381 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -129.42 119.61 24.11 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.721 -0.672 . . . . 10.0 109.436 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.95 36.08 12.87 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.307 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.2 0.02 85.08 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.998 -0.62 . . . . 10.0 113.686 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -118.15 135.89 53.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 117.325 0.563 . . . . 10.0 110.872 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -76.7 144.77 39.14 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.0 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 44.9 mt -91.32 136.51 33.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.299 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -82.92 134.53 35.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.137 -0.483 . . . . 10.0 109.863 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -59.34 -37.69 78.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.949 -178.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.1 22.29 6.16 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 121.226 -0.511 . . . . 10.0 113.382 -178.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.408 ' O ' HG12 ' A' ' 23' ' ' ILE . 55.5 mmt-85 -124.41 169.85 11.43 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.075 0.437 . . . . 10.0 110.647 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.1 p -110.25 172.88 6.6 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.779 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 18' ' ' GLU . 90.3 mt -67.43 -32.52 73.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.067 0.46 . . . . 10.0 110.279 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.51 -22.95 65.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.734 -0.666 . . . . 10.0 111.173 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -66.02 -27.18 67.92 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.428 -179.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -112.5 10.42 19.67 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.22 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.7 t30 56.54 37.69 29.02 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.371 -0.831 . . . . 10.0 111.363 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 72.7 mt -74.72 116.85 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.07 -0.514 . . . . 10.0 109.734 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -97.17 -169.82 1.92 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.704 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -79.86 151.44 30.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.684 0.278 . . . . 10.0 111.38 -179.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 67.5 23.37 9.01 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.305 -0.861 . . . . 10.0 111.88 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.3 m -86.77 142.81 27.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.059 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 2.9 m -96.06 126.19 41.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.404 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -114.62 143.98 44.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.69 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -97.34 126.8 42.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.721 0.296 . . . . 10.0 110.648 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.8 tp -107.95 101.41 10.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.367 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.4 t -96.18 141.2 15.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.109 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.472 ' H ' HD11 ' A' ' 8' ' ' LEU . 92.2 mt -87.39 132.2 34.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.03 0.443 . . . . 10.0 111.006 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -89.02 84.88 6.6 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.922 -0.581 . . . . 10.0 109.884 179.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.6 mt -84.4 92.0 7.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.058 0.456 . . . . 10.0 110.802 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -131.87 166.99 20.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.795 -0.638 . . . . 10.0 110.063 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.42 -135.34 13.09 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.921 -0.656 . . . . 10.0 112.587 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.176 0 CA-C-O 118.577 -1.124 . . . . 10.0 111.818 -179.748 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.443 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 26.2 ptt? . . . . . 0 N--CA 1.483 1.2 0 N-CA-C 110.246 -0.279 . . . . 10.0 110.246 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -110.72 141.9 43.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.841 0.353 . . . . 10.0 110.624 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 24.8 pt -129.51 151.98 36.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.136 -0.483 . . . . 10.0 109.938 178.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -107.49 112.31 25.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.442 -0.344 . . . . 10.0 110.727 -179.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.7 t -101.17 121.08 51.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -106.5 141.61 37.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.751 0.31 . . . . 10.0 111.289 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.1 p -111.81 167.67 10.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.666 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.451 ' CD1' ' HA ' ' D' ' 487' ' ' GLU . 46.8 mt -70.12 -14.91 62.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.094 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.67 -12.89 59.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.227 0.537 . . . . 10.0 110.564 179.009 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.86 5.13 58.67 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.778 -0.646 . . . . 10.0 112.32 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -88.04 139.38 30.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.81 0.338 . . . . 10.0 110.868 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.3 m -115.03 118.99 34.97 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 mp -105.7 128.84 59.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.856 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.52 109.86 21.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.18 179.355 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.6 mt -103.46 156.07 18.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.107 0.479 . . . . 10.0 111.598 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -109.2 109.45 20.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.389 -0.823 . . . . 10.0 109.794 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.443 ' O ' ' HG2' ' B' ' 1' ' ' MET . 16.7 m -138.97 174.08 10.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.624 -179.455 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.518 ' O ' HD12 ' B' ' 56' ' ' LEU . 70.3 mm-40 -124.27 158.36 61.33 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 109.674 -0.491 . . . . 10.0 109.674 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -57.75 -22.38 52.78 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.281 1.987 . . . . 10.0 112.947 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -93.73 8.41 41.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.915 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -78.61 157.5 28.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.889 0.376 . . . . 10.0 110.342 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.5 145.9 29.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.496 -179.315 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.6 mm -54.91 -43.51 68.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.266 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -58.12 -35.09 70.96 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 121.051 0.453 . . . . 10.0 111.073 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -72.23 -38.24 68.99 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.703 -0.48 . . . . 10.0 109.703 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.4 t -62.81 -40.14 87.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.601 178.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -59.87 -39.63 85.92 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.855 178.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.42 -37.22 82.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.62 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.98 -38.0 87.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.177 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 79.0 mt -70.18 -32.06 49.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-O 121.333 0.587 . . . . 10.0 109.734 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -62.14 -40.64 96.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.541 -0.754 . . . . 10.0 110.899 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -74.36 -19.43 60.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.126 0.489 . . . . 10.0 110.876 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -84.1 -60.62 2.04 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.709 0.633 . . . . 10.0 112.709 -178.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -96.23 -15.66 21.87 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.604 0.594 . . . . 10.0 112.604 -177.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.96 31.5 53.03 Favored Glycine 0 C--O 1.229 -0.168 0 C-N-CA 120.623 -0.799 . . . . 10.0 112.253 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.6 mt -109.48 125.88 30.4 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 110.365 -0.235 . . . . 10.0 110.365 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.457 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 50.5 Cg_exo -54.22 140.97 71.48 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.704 2.269 . . . . 10.0 112.278 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 32.3 Cg_exo -58.09 -23.27 60.15 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.847 2.365 . . . . 10.0 112.787 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -70.27 -13.82 62.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.051 0.453 . . . . 10.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -107.94 -0.98 21.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.585 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -96.48 104.61 16.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.93 -178.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.405 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 35.0 mtp180 -104.77 97.27 7.18 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.871 -0.789 . . . . 10.0 108.871 177.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 41.6 mt -81.41 121.68 26.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.408 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -119.47 125.15 74.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.266 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.53 ' O ' ' HE3' ' B' ' 48' ' ' LYS . 77.2 t80 -110.21 106.6 16.09 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.688 -0.486 . . . . 10.0 109.688 178.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.52 44.02 21.81 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.912 -0.585 . . . . 10.0 112.193 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.01 8.07 84.54 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.846 -0.693 . . . . 10.0 113.974 178.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.53 ' HE3' ' O ' ' B' ' 45' ' ' PHE . 25.1 mtmt -124.2 124.52 42.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 117.304 0.552 . . . . 10.0 110.576 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.26 139.23 46.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.943 0.401 . . . . 10.0 110.344 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.483 HD21 ' HB3' ' B' ' 45' ' ' PHE . 17.3 mt -98.39 145.32 26.84 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.631 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.471 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 27.1 mt-10 -94.34 154.24 17.59 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -64.39 -44.25 91.92 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.102 0.408 . . . . 10.0 112.102 -178.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.17 47.91 3.81 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.97 -0.633 . . . . 10.0 112.951 -179.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.471 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 28.5 mmt180 -135.61 152.69 51.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 10.0 110.458 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.574 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 0.2 OUTLIER -94.45 157.84 15.83 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 178.899 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.518 HD12 ' O ' ' B' ' 18' ' ' GLU . 79.1 mt -63.51 -32.95 74.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.336 0.589 . . . . 10.0 110.046 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.95 -13.7 61.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.655 -0.702 . . . . 10.0 111.223 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.574 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.5 m-20 -67.01 -28.03 67.91 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.946 0.403 . . . . 10.0 110.703 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.401 ' HB2' HG13 ' B' ' 61' ' ' ILE . 81.9 m-85 -111.26 12.67 21.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.994 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 62.7 t30 61.31 35.25 18.16 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.438 -0.801 . . . . 10.0 111.016 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.401 HG13 ' HB2' ' B' ' 59' ' ' TYR . 77.6 mt -78.02 104.53 6.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.006 179.463 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -91.02 -162.04 0.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.454 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.06 153.43 28.79 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.018 -0.364 . . . . 10.0 110.018 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 65.53 33.6 8.54 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.616 0.572 . . . . 10.0 110.891 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 71.2 m -90.17 152.14 21.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.263 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.59 124.79 51.03 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.517 -179.437 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -117.05 131.5 56.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.642 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -92.42 118.32 30.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.002 -0.545 . . . . 10.0 109.605 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 54.9 tp -98.97 104.25 16.27 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.118 0.485 . . . . 10.0 110.657 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.405 ' HB ' ' HB2' ' B' ' 42' ' ' ARG . 94.0 t -90.3 108.61 19.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.949 -0.568 . . . . 10.0 109.954 179.063 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 86.2 mt -83.93 112.0 19.76 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.465 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.99 168.34 10.84 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.123 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 7.7 mp -115.76 154.42 29.63 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.868 0.366 . . . . 10.0 111.107 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.77 -18.11 31.9 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.781 -0.822 . . . . 10.0 108.781 178.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 177.93 169.14 38.49 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 109.983 -1.247 . . . . 10.0 109.983 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.604 -1.109 . . . . 10.0 112.478 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.476 0.863 0 CA-C-O 120.576 0.227 . . . . 10.0 110.602 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 64.77 17.73 11.11 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.564 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.4 -50.22 74.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.848 0.356 . . . . 10.0 111.536 -179.089 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -76.69 -37.9 55.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.86 0.362 . . . . 10.0 110.987 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.56 -45.64 92.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.187 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -61.47 -41.8 97.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 10.0 110.913 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.63 -44.14 97.04 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.913 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 62.6 mtm -69.58 -37.77 77.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.754 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.24 -41.84 96.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.704 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -64.11 -33.01 74.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.33 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -62.71 -40.06 95.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.011 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 92.7 mt -72.38 -32.82 43.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.099 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -61.16 -32.76 72.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.753 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -74.4 -17.99 60.73 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 116.244 -0.434 . . . . 10.0 111.028 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 67.3 mmm -95.67 -42.06 8.58 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.986 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 468' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -132.5 97.97 17.11 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.101 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -86.35 17.69 1.71 Allowed 'Trans proline' 0 CA--C 1.532 0.393 0 C-N-CA 122.496 2.131 . . . . 10.0 112.465 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -103.11 -1.17 29.55 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.864 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 471' ' ' VAL . . . . . . . . . . . . . 7.7 p -114.33 128.23 26.03 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.328 -0.396 . . . . 10.0 110.575 -179.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 472' ' ' PRO . . . . . 0.436 ' O ' HG23 ' D' ' 476' ' ' VAL . 32.1 Cg_exo -58.43 138.56 86.49 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.824 2.35 . . . . 10.0 112.508 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -54.44 -41.33 69.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.671 -0.695 . . . . 10.0 112.482 -178.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 37.8 p-80 -66.15 -30.25 70.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.633 0.254 . . . . 10.0 111.427 -178.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 475' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' D' ' 475' ' ' LEU . 22.7 mt -76.75 -35.91 57.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.657 0.265 . . . . 10.0 110.594 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 476' ' ' VAL . . . . . 0.436 HG23 ' O ' ' D' ' 472' ' ' PRO . 40.8 t -62.56 -40.9 89.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.314 0.578 . . . . 10.0 109.551 178.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 477' ' ' LEU . . . . . 0.448 ' O ' ' HG3' ' D' ' 481' ' ' GLN . 51.2 mt -65.85 -30.52 71.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.379 -0.828 . . . . 10.0 110.969 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -63.38 -54.11 41.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.376 -0.375 . . . . 10.0 110.916 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 479' ' ' ASP . . . . . 0.515 ' HB3' HG23 ' D' ' 489' ' ' THR . 12.9 t70 -65.2 -34.65 78.88 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.817 0.342 . . . . 10.0 110.297 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.94 -28.34 66.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.122 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 481' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' D' ' 477' ' ' LEU . 58.3 mt-30 -82.81 -25.86 32.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.104 0.478 . . . . 10.0 110.338 179.201 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -83.58 -56.63 3.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.674 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 483' ' ' THR . . . . . 0.415 ' O ' ' HB2' ' D' ' 484' ' ' ARG . 61.9 p -87.61 -43.78 11.72 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.272 0.471 . . . . 10.0 112.272 -178.161 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 484' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' D' ' 483' ' ' THR . 8.9 mtm180 69.18 42.16 1.27 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.195 0.521 . . . . 10.0 110.789 -179.364 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 12.3 t -159.13 117.91 2.93 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.754 -0.657 . . . . 10.0 109.633 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 8.1 m -57.01 -37.59 55.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.66 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 487' ' ' GLU . . . . . 0.451 ' HA ' ' CD1' ' B' ' 8' ' ' LEU . 4.4 mp0 -61.42 -43.65 98.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.794 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 39.7 mt -74.14 -44.41 49.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.843 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 489' ' ' THR . . . . . 0.515 HG23 ' HB3' ' D' ' 479' ' ' ASP . 95.7 m -57.13 -49.91 74.45 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.361 0.504 . . . . 10.0 112.361 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 4.8 m -60.34 -43.76 96.14 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.192 -0.203 . . . . 10.0 111.42 -179.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -68.68 -37.8 79.88 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.01 0.433 . . . . 10.0 109.912 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.6 -40.72 75.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.508 -0.769 . . . . 10.0 110.151 178.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 76.9 mt -66.52 -42.28 89.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.848 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.63 -34.23 77.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.97 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -81.26 -3.82 53.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 10.0 111.401 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 79.37 29.27 50.22 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.926 -0.654 . . . . 10.0 113.787 179.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -76.31 -27.34 56.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.383 0.611 . . . . 10.0 109.548 178.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 4.5 mp -108.62 130.81 60.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.4 -0.818 . . . . 10.0 109.275 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -62.67 112.99 2.74 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.988 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 16.0 m -72.87 156.73 89.59 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.193 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -50.11 115.06 1.66 Allowed 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.885 2.39 . . . . 10.0 112.954 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -120.82 131.61 24.42 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.68 -0.691 . . . . 10.0 109.957 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -61.02 135.22 57.64 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.778 2.319 . . . . 10.0 112.362 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.245 -0.883 . . . . 10.0 110.334 -179.301 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.449 ' HB2' ' HB3' ' A' ' 63' ' ' LYS . 26.9 ptt? . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 109.99 -0.374 . . . . 10.0 109.99 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -91.33 134.9 34.21 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.169 0.509 . . . . 10.0 111.124 -179.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.3 pt -124.24 164.52 22.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.735 -0.666 . . . . 10.0 109.723 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.463 ' O ' ' HA ' ' A' ' 66' ' ' THR . 70.7 m-85 -114.6 131.45 56.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.941 0.401 . . . . 10.0 110.901 -179.367 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.9 t -114.62 127.54 72.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.915 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -98.58 132.77 43.73 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.294 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.2 p -108.32 165.6 11.38 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 110.081 -0.34 . . . . 10.0 110.081 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.4 mt -69.4 -10.36 57.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.819 0.342 . . . . 10.0 111.023 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.66 -3.45 52.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.172 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.87 15.92 69.04 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.801 -0.714 . . . . 10.0 112.54 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -95.66 121.25 37.16 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.102 -0.333 . . . . 10.0 110.102 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 m -93.77 116.65 29.14 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.103 0.478 . . . . 10.0 110.33 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.9 mt -104.08 138.02 30.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.983 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.46 132.54 50.6 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.019 -0.734 . . . . 10.0 109.019 178.588 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.4 mt -136.76 147.67 46.81 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.378 0.51 . . . . 10.0 112.378 -178.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -93.47 115.8 28.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.391 -0.822 . . . . 10.0 109.597 179.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.402 ' O ' ' HG2' ' A' ' 1' ' ' MET . 23.3 m -135.47 172.39 15.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.135 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.435 ' O ' HD12 ' A' ' 56' ' ' LEU . 65.7 mm-40 -129.38 160.78 62.48 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 109.968 -0.382 . . . . 10.0 109.968 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -58.17 -32.03 94.75 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.432 2.088 . . . . 10.0 112.232 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.11 20.29 8.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.403 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -87.46 138.31 31.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.789 0.328 . . . . 10.0 110.274 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.42 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.1 m -86.6 142.91 27.93 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.546 -179.512 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.2 mm -56.19 -39.2 57.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.1 0.476 . . . . 10.0 110.44 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -62.46 -30.35 71.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.644 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -77.36 -42.07 37.91 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.616 -0.513 . . . . 10.0 109.616 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 22' ' ' THR . 40.7 t -62.32 -36.44 74.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.695 178.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -60.07 -40.17 88.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.241 -0.89 . . . . 10.0 110.266 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.99 -31.0 70.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.403 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -66.57 -38.89 88.04 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.116 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.6 mt -71.0 -36.57 64.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -63.26 -35.61 80.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.414 -0.812 . . . . 10.0 110.512 179.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -83.05 -12.24 57.34 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.979 -178.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -100.19 -43.12 6.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.825 0.345 . . . . 10.0 111.494 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -99.01 -39.84 8.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.72 -179.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.86 11.14 38.32 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.552 -0.833 . . . . 10.0 111.652 -178.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.0 mt -85.39 125.33 70.03 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 115.678 -0.261 . . . . 10.0 110.778 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 37.5 Cg_exo -56.87 143.12 92.4 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 122.78 2.32 . . . . 10.0 112.328 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 48.6 Cg_exo -55.64 -29.79 72.12 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 123.151 2.567 . . . . 10.0 113.253 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -66.53 -33.51 75.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.51 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -91.82 -0.12 57.51 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.209 -178.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -94.59 101.44 13.32 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.365 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -110.17 100.24 9.18 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.96 -0.755 . . . . 10.0 108.96 178.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.31 134.6 34.11 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.198 0.523 . . . . 10.0 111.716 -178.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -128.2 136.72 59.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.542 -0.754 . . . . 10.0 109.421 179.271 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.499 ' HB3' HD21 ' A' ' 50' ' ' LEU . 74.2 t80 -132.16 118.63 19.83 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.934 -0.395 . . . . 10.0 109.934 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.8 21.83 11.9 Favored 'General case' 0 N--CA 1.464 0.236 0 O-C-N 123.556 0.535 . . . . 10.0 112.001 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.42 -28.02 16.78 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.698 -0.763 . . . . 10.0 112.902 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -89.16 142.03 28.0 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.283 -0.266 . . . . 10.0 110.283 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -81.41 136.86 35.72 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.783 0.325 . . . . 10.0 110.741 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.499 HD21 ' HB3' ' A' ' 45' ' ' PHE . 51.5 mt -85.63 115.21 23.18 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.795 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.538 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 31.0 mt-10 -75.36 148.14 39.5 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -55.69 -52.13 64.93 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.548 0.573 . . . . 10.0 112.548 -178.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.6 48.21 3.93 Favored Glycine 0 CA--C 1.521 0.413 0 C-N-CA 120.847 -0.692 . . . . 10.0 114.006 -178.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.538 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 23.1 mmt180 -133.08 160.61 36.69 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.969 -0.382 . . . . 10.0 109.969 179.19 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.19 154.26 19.97 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 179.397 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.435 HD12 ' O ' ' A' ' 18' ' ' GLU . 84.8 mt -60.15 -30.28 69.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.086 0.469 . . . . 10.0 110.781 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.89 -21.5 62.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.739 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -68.62 -38.12 80.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.967 0.413 . . . . 10.0 111.332 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -94.56 7.07 46.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.266 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.2 t30 61.93 39.43 13.53 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 115.384 -0.825 . . . . 10.0 111.163 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 69.4 mt -85.47 122.88 38.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.025 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -112.48 -167.23 1.16 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.266 -179.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.449 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 55.2 pttt -73.69 154.84 39.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.279 -0.419 . . . . 10.0 109.892 179.105 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 74.56 -16.63 0.53 Allowed 'General case' 0 N--CA 1.473 0.698 0 O-C-N 123.816 0.697 . . . . 10.0 111.975 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.7 m -57.86 141.4 49.29 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.968 0.413 . . . . 10.0 111.038 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 1.7 m -103.15 119.15 38.34 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.202 -179.523 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.1 mp -99.94 155.23 17.8 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.639 -0.71 . . . . 10.0 109.588 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -113.53 133.11 55.43 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.778 0.323 . . . . 10.0 110.719 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.7 tp -112.88 111.38 22.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 89.0 t -101.5 132.58 47.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.968 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.7 mt -89.03 135.97 33.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.36 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -99.46 108.58 21.08 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.722 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 88.5 mt -107.71 122.04 45.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.666 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 74' ' ' ARG . 2.1 mmp_? -135.88 145.31 46.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.189 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 102.68 -10.68 56.12 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.942 -0.646 . . . . 10.0 112.2 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.942 -0.921 . . . . 10.0 111.111 179.79 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.406 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 24.6 ptt? . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.627 0.251 . . . . 10.0 110.601 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -104.17 141.14 36.78 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.775 0.322 . . . . 10.0 110.969 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 20.9 pt -129.01 168.45 22.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.213 -0.449 . . . . 10.0 109.873 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.47 ' O ' ' HA ' ' B' ' 66' ' ' THR . 57.2 m-85 -121.78 117.23 26.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.972 0.415 . . . . 10.0 111.178 -179.328 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -96.35 123.94 48.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.079 -0.509 . . . . 10.0 109.813 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -102.18 129.59 48.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.889 -179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 34.2 p -108.54 157.44 18.46 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.835 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 47.7 mt -68.79 -14.87 63.3 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.075 0.464 . . . . 10.0 111.12 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.7 -9.94 59.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.161 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.83 28.81 20.19 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.755 -0.735 . . . . 10.0 112.239 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -116.18 130.7 56.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.572 0.225 . . . . 10.0 110.534 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.73 130.11 51.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.548 -0.297 . . . . 10.0 110.765 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 19.4 mt -115.13 132.53 64.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.673 -0.24 . . . . 10.0 110.863 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.7 m -104.14 105.6 15.82 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.161 -0.311 . . . . 10.0 110.161 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 93.6 mt -109.83 145.81 36.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.13 -179.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -91.82 122.17 34.11 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 15.0 m -138.47 173.28 12.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.391 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.517 ' O ' HD12 ' B' ' 56' ' ' LEU . 6.8 mm-40 -131.41 155.85 80.92 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 109.178 -0.675 . . . . 10.0 109.178 179.291 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.72 -27.28 60.63 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 122.449 2.099 . . . . 10.0 112.914 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.9 -2.37 58.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.704 -179.641 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -72.32 143.56 48.63 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.706 0.289 . . . . 10.0 110.359 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.455 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.3 OUTLIER -89.4 147.29 24.12 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.537 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.448 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 42.4 mm -57.2 -40.2 72.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.294 0.568 . . . . 10.0 109.887 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -60.54 -36.29 78.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.249 -0.887 . . . . 10.0 110.763 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -71.51 -36.65 71.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.087 0.47 . . . . 10.0 109.767 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.455 HG23 ' O ' ' B' ' 22' ' ' THR . 47.5 t -62.26 -38.51 81.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.896 -0.593 . . . . 10.0 109.525 178.515 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' B' ' 23' ' ' ILE . 4.7 mmmm -59.9 -35.89 75.83 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.055 179.157 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.09 -36.19 81.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.295 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -68.2 -35.99 78.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.268 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.54 HG21 HD11 ' B' ' 69' ' ' LEU . 69.7 mt -69.67 -37.98 75.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 178.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.415 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 58.7 tt0 -69.2 -22.88 63.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.806 178.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -74.36 -28.53 61.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.067 178.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -93.07 -63.65 1.19 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.624 -0.716 . . . . 10.0 111.403 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -77.09 -47.47 20.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.266 -0.424 . . . . 10.0 111.341 -178.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 106.89 -12.56 41.55 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.731 -0.747 . . . . 10.0 112.278 -179.482 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 31.9 mt -62.55 129.6 92.82 Favored Pre-proline 0 C--N 1.327 -0.378 0 C-N-CA 122.307 0.243 . . . . 10.0 111.108 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.457 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 33.0 Cg_exo -57.09 138.7 87.44 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 122.399 2.066 . . . . 10.0 111.792 179.131 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 32.0 Cg_exo -58.73 -25.73 77.0 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.013 2.475 . . . . 10.0 112.638 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.32 -41.9 80.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.811 -0.632 . . . . 10.0 111.379 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -94.65 15.51 17.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.615 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -104.26 100.59 10.32 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.669 0.271 . . . . 10.0 111.264 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.463 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 47.4 mtp180 -97.41 112.42 24.26 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.521 -0.918 . . . . 10.0 108.521 178.449 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 46.3 mt -96.9 131.17 43.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.969 0.414 . . . . 10.0 111.903 -178.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mp -123.98 136.82 59.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.02 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.567 ' HB3' HD21 ' B' ' 50' ' ' LEU . 67.1 t80 -131.79 115.19 15.64 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 179.029 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.96 23.83 12.94 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.378 0.423 . . . . 10.0 111.494 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.18 -13.55 63.15 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.792 -0.718 . . . . 10.0 112.559 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -100.37 129.35 46.33 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.556 0.217 . . . . 10.0 110.452 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.19 139.09 46.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.174 0.512 . . . . 10.0 111.235 -179.563 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.567 HD21 ' HB3' ' B' ' 45' ' ' PHE . 24.9 mt -94.73 134.72 37.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.891 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -96.2 148.35 22.81 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.769 -0.456 . . . . 10.0 109.769 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -59.91 -44.38 94.32 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.243 0.46 . . . . 10.0 112.243 -178.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.01 48.89 3.63 Favored Glycine 0 CA--C 1.517 0.181 0 C-N-CA 121.212 -0.518 . . . . 10.0 113.5 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.472 ' HG3' ' OH ' ' B' ' 59' ' ' TYR . 16.2 mmt180 -143.66 162.74 35.16 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 179.463 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.464 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 46.9 p -106.65 163.73 12.66 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.244 -0.65 . . . . 10.0 109.244 178.628 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.517 HD12 ' O ' ' B' ' 18' ' ' GLU . 83.5 mt -61.63 -33.41 73.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.815 0.34 . . . . 10.0 110.799 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.5 m -69.57 -20.8 63.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 10.0 111.52 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' B' ' 55' ' ' THR . 3.9 m-20 -63.57 -37.76 88.53 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.98 0.419 . . . . 10.0 111.028 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.472 ' OH ' ' HG3' ' B' ' 54' ' ' ARG . 87.2 m-85 -101.87 14.36 32.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.202 -179.302 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 63.23 23.78 14.01 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.037 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.6 mt -71.11 129.9 34.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.63 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -129.11 -159.2 0.94 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.311 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.406 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 5.0 pttt -70.76 153.55 42.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.573 -0.285 . . . . 10.0 110.958 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 64.35 14.9 9.11 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.622 -0.717 . . . . 10.0 112.401 178.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.6 m -76.53 140.83 41.3 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.975 -0.38 . . . . 10.0 109.975 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.47 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 32.1 m -98.52 118.95 36.37 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.095 0.474 . . . . 10.0 111.215 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 mp -101.07 120.44 40.21 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.576 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.545 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 43.4 m80 -86.45 119.54 26.82 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.462 -0.335 . . . . 10.0 110.387 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.54 HD11 HG21 ' B' ' 30' ' ' ILE . 0.5 OUTLIER -95.99 114.13 25.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.87 -179.72 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.463 ' HB ' ' HB2' ' B' ' 42' ' ' ARG . 86.5 t -108.7 131.04 60.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.033 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 96.1 mt -103.73 150.93 23.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.497 -0.32 . . . . 10.0 110.138 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -123.6 149.39 45.39 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.719 -179.618 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 5.7 mp -129.45 133.25 47.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.505 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 66.52 94.38 0.06 Allowed 'General case' 0 N--CA 1.464 0.261 0 O-C-N 123.755 0.659 . . . . 10.0 111.487 179.608 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -102.69 -43.66 1.93 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.679 -0.772 . . . . 10.0 111.953 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.283 0 CA-C-O 118.652 -1.082 . . . . 10.0 112.221 -179.926 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 120.405 0.145 . . . . 10.0 110.719 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 66.16 17.49 10.76 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.521 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.68 -42.45 99.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.849 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 -67.93 -34.86 77.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.471 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 74.4 mt -66.56 -45.09 80.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.263 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -64.37 -40.16 95.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.977 0.418 . . . . 10.0 110.476 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.39 -44.1 95.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.063 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 47.8 mtm -69.98 -41.12 74.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.14 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.16 -34.82 78.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.75 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.58 -34.46 72.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.913 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 463' ' ' GLN . . . . . 0.475 ' O ' ' HG2' ' D' ' 467' ' ' MET . 23.5 tp60 -70.3 -39.19 75.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.996 0.427 . . . . 10.0 109.901 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 51.4 mt -66.1 -31.19 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.428 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -64.99 -23.19 67.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.349 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -87.38 -14.29 41.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.285 179.308 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 467' ' ' MET . . . . . 0.545 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 49.1 mmm -91.85 -37.89 12.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.38 0.61 . . . . 10.0 109.676 179.524 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 468' ' ' PHE . . . . . 0.491 ' O ' HG12 ' D' ' 471' ' ' VAL . 5.7 m-85 -130.06 95.92 26.94 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.601 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -80.2 26.16 0.58 Allowed 'Trans proline' 0 CA--C 1.53 0.294 0 C-N-CA 122.516 2.144 . . . . 10.0 112.614 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -137.4 21.04 2.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.717 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 471' ' ' VAL . . . . . 0.491 HG12 ' O ' ' D' ' 468' ' ' PHE . 14.1 p -120.03 131.27 24.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.05 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 472' ' ' PRO . . . . . 0.439 ' HG2' HD12 ' D' ' 475' ' ' LEU . 32.4 Cg_exo -59.98 121.78 10.36 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.572 2.182 . . . . 10.0 112.405 179.165 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -53.05 -40.13 63.73 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.809 -0.632 . . . . 10.0 112.167 -179.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -68.22 -23.34 64.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.604 0.24 . . . . 10.0 111.638 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 475' ' ' LEU . . . . . 0.51 ' O ' ' HB3' ' D' ' 478' ' ' GLN . 22.6 mt -84.94 -26.77 26.99 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.634 -0.506 . . . . 10.0 109.634 179.261 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 476' ' ' VAL . . . . . 0.411 HG23 ' O ' ' D' ' 472' ' ' PRO . 53.5 t -68.86 -42.62 82.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 108.912 -0.773 . . . . 10.0 108.912 178.386 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 477' ' ' LEU . . . . . 0.457 ' O ' ' HG3' ' D' ' 481' ' ' GLN . 63.1 mt -62.12 -27.9 69.25 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.451 -0.795 . . . . 10.0 110.346 178.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 478' ' ' GLN . . . . . 0.51 ' HB3' ' O ' ' D' ' 475' ' ' LEU . 2.2 tt0 -62.37 -52.84 61.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.702 -0.681 . . . . 10.0 111.039 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 479' ' ' ASP . . . . . 0.509 ' HB3' HG23 ' D' ' 489' ' ' THR . 12.6 t70 -65.83 -33.99 77.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.61 -179.264 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.33 -27.69 67.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.66 179.295 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 481' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' D' ' 477' ' ' LEU . 58.3 mt-30 -89.79 -3.23 58.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.46 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -107.49 -58.4 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.431 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 82.6 p -87.19 -35.37 18.61 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.488 -0.324 . . . . 10.0 111.443 -179.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? 65.71 21.19 11.59 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.68 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.44 112.77 7.16 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.827 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 16.7 m -52.75 -31.0 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 115.941 -0.572 . . . . 10.0 112.237 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -60.98 -54.26 47.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.037 0.446 . . . . 10.0 110.217 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 22.5 mt -67.55 -34.08 66.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.292 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 489' ' ' THR . . . . . 0.509 HG23 ' HB3' ' D' ' 479' ' ' ASP . 87.2 m -60.16 -49.84 76.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.745 -0.661 . . . . 10.0 111.197 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 490' ' ' THR . . . . . 0.44 ' HB ' HG13 ' B' ' 70' ' ' VAL . 1.9 m -68.42 -34.73 76.53 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.764 -179.246 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 491' ' ' ASP . . . . . 0.467 ' O ' ' HG2' ' D' ' 495' ' ' GLU . 18.1 t70 -65.76 -44.16 86.69 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.933 -0.766 . . . . 10.0 108.933 178.271 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -56.23 -36.46 68.5 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.215 -0.902 . . . . 10.0 110.47 178.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 493' ' ' ILE . . . . . 0.465 HG13 ' O ' ' D' ' 489' ' ' THR . 89.9 mt -64.02 -44.45 97.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.036 179.215 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.82 -28.81 67.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.001 0.429 . . . . 10.0 110.566 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 495' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' D' ' 491' ' ' ASP . 33.4 mm-40 -76.68 -20.98 56.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.776 -0.647 . . . . 10.0 111.329 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 95.19 24.56 16.39 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.453 -0.88 . . . . 10.0 112.298 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -71.62 -37.36 70.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.559 0.695 . . . . 10.0 109.32 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 4.1 mp -100.68 122.8 53.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.079 -0.964 . . . . 10.0 109.265 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -68.93 125.08 25.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.965 0.412 . . . . 10.0 111.01 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 16.1 m -76.96 156.95 82.11 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.532 -0.758 . . . . 10.0 110.393 179.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -61.14 109.2 0.67 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.681 2.254 . . . . 10.0 112.146 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -108.81 131.35 21.84 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.68 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -67.32 108.98 1.67 Allowed 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.486 2.124 . . . . 10.0 112.297 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 11.4 t . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.057 -0.973 . . . . 10.0 109.466 179.533 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.483 1.194 0 N-CA-C 110.334 -0.247 . . . . 10.0 110.334 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -111.7 143.43 42.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.363 -0.38 . . . . 10.0 111.317 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.2 pt -129.96 162.59 37.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 178.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -122.64 116.25 23.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.928 0.394 . . . . 10.0 111.393 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 63.0 t -100.89 121.05 51.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.8 -0.636 . . . . 10.0 110.036 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.7 mttp -98.99 131.96 44.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.868 0.366 . . . . 10.0 110.909 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.8 p -94.78 171.69 8.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.189 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.429 HD11 ' H ' ' A' ' 71' ' ' LEU . 52.6 mt -65.82 -28.1 68.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.89 0.376 . . . . 10.0 110.811 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.553 HG23 HE21 ' D' ' 465' ' ' GLN . 1.9 m -74.94 -27.88 60.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.94 -0.573 . . . . 10.0 111.131 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.71 -16.27 10.38 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.805 -0.712 . . . . 10.0 111.731 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -61.49 127.76 33.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.669 -0.265 . . . . 10.0 110.784 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -106.35 121.73 44.82 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.367 -0.379 . . . . 10.0 110.178 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mt -100.65 133.06 45.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.551 -178.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.22 129.39 38.18 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.894 -0.594 . . . . 10.0 109.569 178.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.3 mt -131.46 133.42 45.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.862 0.363 . . . . 10.0 111.533 -179.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -94.36 108.79 20.68 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.196 -0.668 . . . . 10.0 109.196 178.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.5 m -138.09 172.65 13.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.266 -0.424 . . . . 10.0 110.895 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -124.22 155.57 67.89 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.427 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 55.7 Cg_exo -53.49 -24.83 29.89 Favored 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 122.97 2.447 . . . . 10.0 113.889 -179.119 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.52 0.08 57.47 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.472 0.545 . . . . 10.0 112.472 -178.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -74.0 143.74 45.44 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.681 -0.408 . . . . 10.0 110.162 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.6 m -84.02 141.01 31.49 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.777 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.4 mm -54.43 -40.83 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.28 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -61.89 -30.08 70.64 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.914 0.388 . . . . 10.0 110.723 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -75.52 -29.51 59.5 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.429 -0.582 . . . . 10.0 109.429 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.0 t -67.7 -39.22 81.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.135 -0.691 . . . . 10.0 109.135 178.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -61.94 -36.24 80.81 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.561 -0.745 . . . . 10.0 109.769 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.22 -37.9 89.05 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.591 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.2 mtmm -66.34 -42.61 87.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.174 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 60.0 mt -66.4 -36.16 76.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.508 0.67 . . . . 10.0 109.63 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -67.81 -29.54 68.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.553 -0.749 . . . . 10.0 110.419 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -81.17 -33.51 33.0 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.494 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -87.61 -47.0 9.04 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.218 0.451 . . . . 10.0 112.218 -179.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -92.45 -32.95 14.71 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.025 0.38 . . . . 10.0 112.025 -178.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.42 10.66 61.82 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.497 -0.859 . . . . 10.0 112.466 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.4 mt -83.8 126.13 71.47 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 110.471 -0.196 . . . . 10.0 110.471 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 45.7 Cg_exo -55.95 138.63 82.81 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.856 2.371 . . . . 10.0 112.15 179.518 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.2 Cg_exo -54.8 -32.38 76.55 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.997 2.465 . . . . 10.0 112.969 -179.529 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.57 -21.63 66.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.951 -179.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -102.35 0.9 34.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.673 0.273 . . . . 10.0 111.18 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -93.73 131.72 38.8 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.067 -179.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 65.4 mtt180 -135.61 102.86 5.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.226 178.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.8 mt -93.57 123.37 36.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.675 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mp -123.17 137.4 56.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.064 -0.517 . . . . 10.0 110.064 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.47 ' HB3' HD21 ' A' ' 50' ' ' LEU . 71.2 t80 -135.02 114.82 12.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.348 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.97 33.02 10.11 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.782 -0.644 . . . . 10.0 111.368 179.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.33 -7.94 73.53 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.981 -0.628 . . . . 10.0 112.896 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -99.73 128.31 45.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.887 0.375 . . . . 10.0 111.01 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.38 116.75 19.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.872 -0.604 . . . . 10.0 109.376 179.326 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.47 HD21 ' HB3' ' A' ' 45' ' ' PHE . 37.3 mt -64.23 127.9 33.45 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.008 -178.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.478 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 12.9 mt-10 -83.6 138.51 33.33 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.271 -0.64 . . . . 10.0 109.271 178.69 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -60.71 -21.0 62.44 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.275 0.472 . . . . 10.0 112.275 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.03 34.94 5.0 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.682 -0.771 . . . . 10.0 113.479 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.478 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 17.4 mmt180 -132.59 174.33 10.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.914 0.357 . . . . 10.0 110.436 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.0 p -112.98 -179.3 3.61 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.079 -0.711 . . . . 10.0 109.079 178.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.427 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 87.8 mt -73.5 -33.24 64.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.982 0.42 . . . . 10.0 110.808 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.4 m -75.07 -10.27 59.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.289 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.18 -31.72 70.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.051 0.453 . . . . 10.0 110.477 179.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -111.88 9.95 20.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.501 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 61.32 50.87 4.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.38 -0.827 . . . . 10.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 73.1 mt -89.95 112.16 24.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.22 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -88.4 -173.47 4.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.706 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 57.3 pttt -76.1 150.99 37.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.478 -0.328 . . . . 10.0 110.936 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 63.52 24.29 13.99 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.617 -0.719 . . . . 10.0 111.94 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.8 m -79.92 153.21 29.13 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.304 -0.258 . . . . 10.0 110.304 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.7 m -97.22 118.0 32.68 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.626 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -106.72 130.49 54.43 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.271 -0.64 . . . . 10.0 109.271 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.5 123.52 36.86 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.551 0.215 . . . . 10.0 110.544 -179.54 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.3 tp -106.83 109.11 20.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.694 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.426 ' HA ' HD21 ' A' ' 8' ' ' LEU . 63.7 t -98.18 132.05 43.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.171 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.429 ' H ' HD11 ' A' ' 8' ' ' LEU . 94.9 mt -81.47 127.36 32.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.441 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 52.0 ttt180 -101.09 106.85 18.15 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.811 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.1 mt -92.83 133.96 35.55 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.234 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.0 ttt-85 -133.0 101.43 5.23 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.715 -0.476 . . . . 10.0 109.715 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.07 52.67 2.02 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.76 -0.733 . . . . 10.0 112.006 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.087 -1.396 . . . . 10.0 111.422 179.954 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 26.4 ptt? . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 120.859 0.362 . . . . 10.0 110.071 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -100.42 133.92 44.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.934 0.397 . . . . 10.0 110.97 -179.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 19.2 pt -119.74 160.44 19.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.092 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -109.27 114.5 28.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.883 0.373 . . . . 10.0 111.057 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 44.0 t -100.06 119.57 48.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.75 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 6.8 mttp -97.53 128.21 44.09 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.952 -179.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 19.1 p -102.8 160.24 14.77 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.065 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 56.1 mt -64.94 -14.66 60.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.0 0.428 . . . . 10.0 111.41 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.25 -16.37 40.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.783 179.161 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.88 11.23 47.23 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.987 -0.625 . . . . 10.0 112.855 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -93.0 133.34 36.23 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 122.708 -0.29 . . . . 10.0 110.443 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -100.99 115.15 29.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.404 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 7.4 mt -96.29 132.38 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.501 -0.318 . . . . 10.0 110.613 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.77 124.82 46.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.073 179.399 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 67.5 mt -126.94 140.2 52.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.265 -179.273 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -93.64 103.99 16.12 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.744 -0.836 . . . . 10.0 108.744 178.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.404 ' O ' ' HG2' ' B' ' 1' ' ' MET . 16.9 m -129.39 164.55 31.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.092 -178.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.503 ' O ' HD12 ' B' ' 56' ' ' LEU . 10.9 mm-40 -124.03 157.46 63.64 Favored Pre-proline 0 C--N 1.32 -0.68 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 179.449 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -55.96 -23.17 41.83 Favored 'Trans proline' 0 CA--C 1.531 0.368 0 C-N-CA 122.408 2.072 . . . . 10.0 112.691 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.95 4.93 46.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.307 -0.406 . . . . 10.0 112.059 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -81.42 153.09 27.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.886 0.374 . . . . 10.0 110.795 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m -99.53 146.96 25.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.737 -178.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.47 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 40.0 mm -56.58 -42.04 75.01 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.118 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -59.62 -35.52 74.52 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.865 0.364 . . . . 10.0 111.133 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -68.88 -35.36 76.79 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.682 -0.488 . . . . 10.0 109.682 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 44.2 t -64.15 -40.62 89.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.504 ' HE3' ' O ' ' B' ' 41' ' ' GLN . 5.5 mmmm -59.43 -44.56 92.88 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.567 -0.742 . . . . 10.0 109.462 178.561 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.82 -36.2 82.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.287 -0.87 . . . . 10.0 110.932 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -68.03 -42.27 80.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.384 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 73.0 mt -67.21 -34.21 67.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.595 0.712 . . . . 10.0 109.385 178.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -67.08 -34.52 77.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.159 -0.928 . . . . 10.0 110.494 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -79.5 -30.29 41.9 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.918 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 43.3 mttt -82.22 -52.76 6.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.522 -0.308 . . . . 10.0 111.608 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -88.83 -53.69 4.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.856 0.36 . . . . 10.0 111.115 -178.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.23 7.06 10.37 Favored Glycine 0 CA--C 1.517 0.167 0 C-N-CA 120.781 -0.723 . . . . 10.0 112.472 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 21.1 mt -86.81 126.31 63.94 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 122.827 -0.219 . . . . 10.0 110.72 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.447 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 34.3 Cg_exo -57.96 143.7 95.65 Favored 'Trans proline' 0 CA--C 1.532 0.416 0 C-N-CA 122.662 2.241 . . . . 10.0 112.181 179.152 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 31.2 Cg_exo -58.89 -24.63 73.44 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.894 2.396 . . . . 10.0 113.396 -179.151 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.57 -22.84 63.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 10.0 111.362 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -103.21 0.62 31.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.07 0.462 . . . . 10.0 110.404 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.504 ' O ' ' HE3' ' B' ' 27' ' ' LYS . 67.0 mt-30 -94.28 113.9 25.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.747 -0.661 . . . . 10.0 111.172 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.468 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 2.7 ttt180 -113.12 108.47 17.35 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.739 -0.837 . . . . 10.0 108.739 178.057 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 25.0 mt -94.39 126.58 39.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.006 0.432 . . . . 10.0 111.757 -177.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.553 HG21 ' CZ ' ' D' ' 468' ' ' PHE . 1.6 mp -120.87 133.2 68.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.615 -0.72 . . . . 10.0 110.447 179.401 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.778 ' HB3' HD21 ' B' ' 50' ' ' LEU . 59.0 t80 -133.05 126.05 30.98 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.055 -0.72 . . . . 10.0 109.055 178.629 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.96 34.17 16.93 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.288 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.2 24.88 70.05 Favored Glycine 0 CA--C 1.52 0.395 0 CA-C-N 116.061 -0.518 . . . . 10.0 113.779 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 31.6 mtmm -141.45 152.25 44.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.82 0.31 . . . . 10.0 110.399 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.09 135.51 33.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.018 0.437 . . . . 10.0 110.98 -179.656 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.778 HD21 ' HB3' ' B' ' 45' ' ' PHE . 31.3 mt -91.89 147.69 22.78 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.17 179.685 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -99.54 142.55 30.87 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.505 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.2 -21.99 65.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.858 -0.61 . . . . 10.0 112.094 -179.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.03 30.19 7.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 10.0 113.328 -179.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' B' ' 54' ' ' ARG . 33.0 mmt-85 -129.62 161.38 30.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 117.004 0.402 . . . . 10.0 110.178 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.06 162.35 13.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.317 179.421 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.503 HD12 ' O ' ' B' ' 18' ' ' GLU . 86.8 mt -63.67 -24.23 67.7 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.808 0.337 . . . . 10.0 111.277 -179.637 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.89 -33.34 59.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.827 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -60.06 -45.88 91.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.81 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.401 ' OH ' ' HG3' ' B' ' 54' ' ' ARG . 62.0 m-85 -83.75 -1.29 53.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.065 179.594 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 59.39 39.43 22.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.7 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 56.2 mt -72.63 108.63 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.196 -0.456 . . . . 10.0 109.934 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -91.22 -174.61 4.01 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.383 -179.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.99 156.51 36.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.355 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 64.81 12.67 7.9 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 122.921 0.488 . . . . 10.0 111.985 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 18.9 m -81.76 160.57 23.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.799 0.333 . . . . 10.0 110.113 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 2.7 m -117.89 131.41 56.53 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.014 0.435 . . . . 10.0 111.637 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -112.93 131.97 55.52 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.873 -0.788 . . . . 10.0 108.873 178.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -92.84 124.16 36.63 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.723 0.296 . . . . 10.0 110.374 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.4 tp -102.78 107.52 18.41 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.106 0.479 . . . . 10.0 110.159 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.468 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 51.1 t -102.49 140.05 21.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.644 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 79.2 mt -109.52 155.62 21.14 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 179.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.4 164.8 28.9 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.872 0.368 . . . . 10.0 111.291 -179.256 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.444 HD13 HG12 ' D' ' 488' ' ' ILE . 3.8 mp -128.48 119.71 25.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.325 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -117.58 13.11 14.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.701 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 116.99 -14.92 13.76 Favored Glycine 0 N--CA 1.449 -0.459 0 N-CA-C 111.105 -0.798 . . . . 10.0 111.105 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.887 -0.952 . . . . 10.0 111.055 179.736 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 110.7 -0.111 . . . . 10.0 110.7 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 60.37 17.1 6.84 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 122.72 0.408 . . . . 10.0 111.646 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.72 -49.18 74.07 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.695 -178.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -69.51 -36.62 76.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.096 0.474 . . . . 10.0 110.403 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 79.7 mt -65.57 -37.79 87.67 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.996 -0.547 . . . . 10.0 109.96 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -63.4 -41.97 98.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.056 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -66.99 -41.46 86.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.776 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 3.2 mtm -65.51 -41.35 93.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.745 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.38 -42.99 95.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.625 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -61.94 -34.95 77.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.925 -0.579 . . . . 10.0 110.631 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -61.42 -37.16 82.49 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.135 0.493 . . . . 10.0 110.077 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 72.2 mt -75.83 -40.9 39.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.987 -0.551 . . . . 10.0 109.635 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 465' ' ' GLN . . . . . 0.553 HE21 HG23 ' A' ' 9' ' ' THR . 33.5 tp60 -59.16 -35.41 73.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.89 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -64.14 -18.09 64.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.494 -0.776 . . . . 10.0 111.568 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 47.5 mtm -107.75 -39.86 5.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.688 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 468' ' ' PHE . . . . . 0.553 ' CZ ' HG21 ' B' ' 44' ' ' ILE . 96.4 m-85 -119.17 85.75 30.83 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.716 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -84.27 12.82 2.91 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.895 2.397 . . . . 10.0 111.942 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -103.79 10.29 36.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.923 -0.58 . . . . 10.0 111.165 -179.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 471' ' ' VAL . . . . . 0.421 HG12 ' O ' ' D' ' 468' ' ' PHE . 7.2 p -123.39 134.21 25.06 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.088 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 472' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.42 122.18 11.26 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.617 2.211 . . . . 10.0 112.504 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -51.03 -42.93 60.79 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.679 -0.692 . . . . 10.0 112.705 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 27.2 p-80 -64.71 -26.03 68.2 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.833 0.309 . . . . 10.0 111.833 -179.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 475' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' D' ' 475' ' ' LEU . 31.3 mt -79.04 -31.98 44.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.818 0.342 . . . . 10.0 110.427 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 40.6 t -65.72 -41.76 91.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 178.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 16.0 mt -66.46 -19.44 65.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.352 -0.84 . . . . 10.0 110.806 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -73.38 -50.93 19.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.43 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -68.02 -33.73 75.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.851 0.358 . . . . 10.0 110.16 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.55 -25.73 66.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.056 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -91.66 -5.74 53.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 10.0 110.942 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -103.91 -56.5 2.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.901 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 65.9 p -86.17 -39.64 16.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.079 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 61.33 34.6 18.4 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.754 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -152.33 112.95 4.13 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 5.6 m -52.53 -34.18 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 O-C-N 123.411 0.445 . . . . 10.0 111.99 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -59.59 -47.84 83.98 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.001 0.429 . . . . 10.0 110.709 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 488' ' ' ILE . . . . . 0.444 HG12 HD13 ' B' ' 73' ' ' LEU . 15.4 mt -74.77 -42.95 47.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.981 -179.479 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 78.5 m -54.46 -52.62 61.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.795 -0.639 . . . . 10.0 112.664 -178.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 2.4 m -60.61 -44.65 96.05 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.131 0.419 . . . . 10.0 112.131 -178.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -68.43 -36.8 79.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.067 0.461 . . . . 10.0 109.944 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 492' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' D' ' 488' ' ' ILE . 1.0 OUTLIER -57.43 -45.69 84.38 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.538 -0.756 . . . . 10.0 110.169 179.062 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 73.3 mt -66.34 -44.42 90.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.532 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.02 -31.27 72.43 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.311 -179.401 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -75.24 -28.59 59.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.332 . . . . 10.0 111.388 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 110.73 21.67 6.68 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.741 -0.742 . . . . 10.0 112.964 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 497' ' ' ARG . . . . . 0.438 ' HB3' HD12 ' D' ' 498' ' ' ILE . 9.9 tpp180 -72.74 -34.54 67.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.265 0.555 . . . . 10.0 109.589 179.276 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 498' ' ' ILE . . . . . 0.438 HD12 ' HB3' ' D' ' 497' ' ' ARG . 3.2 mp -99.95 137.87 26.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.293 -0.867 . . . . 10.0 109.03 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -64.68 111.02 2.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.071 0.462 . . . . 10.0 111.993 -179.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 30.4 m -75.7 151.86 84.88 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.312 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.94 120.74 8.41 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.707 2.272 . . . . 10.0 112.744 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 502' ' ' PHE . . . . . 0.443 ' CG ' ' HD2' ' D' ' 503' ' ' PRO . 0.2 OUTLIER -136.76 149.82 68.12 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.678 -0.692 . . . . 10.0 109.404 -179.552 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 503' ' ' PRO . . . . . 0.443 ' HD2' ' CG ' ' D' ' 502' ' ' PHE . 9.3 Cg_endo -54.31 120.42 7.97 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.75 2.3 . . . . 10.0 111.947 179.212 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--O 1.25 1.09 0 CA-C-O 117.704 -1.141 . . . . 10.0 109.826 -179.542 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.4 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 25.6 ptt? . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 110.345 -0.242 . . . . 10.0 110.345 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -110.19 139.58 45.21 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.556 -0.293 . . . . 10.0 110.606 -179.697 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.0 pt -125.06 160.53 30.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.968 -0.382 . . . . 10.0 109.968 178.747 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.415 ' O ' ' HA ' ' A' ' 66' ' ' THR . 71.8 m-85 -115.13 114.02 24.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.91 0.386 . . . . 10.0 110.851 -179.224 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 59.1 t -106.2 116.46 50.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.108 -0.496 . . . . 10.0 109.72 179.328 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.8 tttp -102.44 133.6 47.12 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.969 0.414 . . . . 10.0 110.45 -179.529 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.4 p -95.8 170.55 9.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.345 179.639 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.69 -4.78 21.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 10.0 111.497 -179.757 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 39.9 p -97.31 -1.61 44.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.218 0.532 . . . . 10.0 110.691 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.96 -19.25 53.18 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.771 -0.65 . . . . 10.0 112.019 -179.809 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp -64.94 119.56 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.036 0.446 . . . . 10.0 110.648 -179.72 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.6 m -102.08 126.05 48.92 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.128 -179.867 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.7 mt -112.02 138.34 41.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.017 -178.925 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 m -102.38 131.17 49.18 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.754 -0.832 . . . . 10.0 108.754 178.316 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.7 mt -123.88 145.39 49.15 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.101 0.408 . . . . 10.0 112.101 -178.439 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -92.33 108.3 19.85 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.413 -0.958 . . . . 10.0 108.413 178.221 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.4 ' O ' ' HG2' ' A' ' 1' ' ' MET . 30.0 m -135.07 168.85 22.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.188 0.518 . . . . 10.0 111.547 -178.602 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.561 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 76.7 mm-40 -129.7 159.46 69.56 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 108.869 -0.789 . . . . 10.0 108.869 178.87 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -56.05 -28.29 68.8 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 122.279 1.986 . . . . 10.0 112.337 179.539 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.53 9.39 13.67 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.89 -0.596 . . . . 10.0 111.529 -179.809 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.561 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 1.8 m-20 -88.61 139.17 30.74 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.927 0.394 . . . . 10.0 110.108 179.671 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -94.7 155.42 16.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.421 179.78 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.431 HD12 HD13 ' A' ' 50' ' ' LEU . 19.3 mm -57.31 -38.8 64.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.829 -0.434 . . . . 10.0 109.829 179.718 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -59.24 -44.82 92.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.509 -0.769 . . . . 10.0 110.226 178.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.451 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 9.7 t-20 -66.73 -38.63 87.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.505 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.1 t -64.14 -40.42 89.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.389 179.514 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -63.37 -34.5 77.87 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.091 179.195 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.29 -31.73 72.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.516 179.157 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 61.2 mttt -68.67 -37.71 79.83 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.629 -0.508 . . . . 10.0 109.629 178.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 63.8 mt -72.06 -33.75 48.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-O 121.26 0.552 . . . . 10.0 109.847 178.795 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -64.76 -37.37 87.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.492 -0.776 . . . . 10.0 110.885 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -81.31 -26.83 35.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.074 0.464 . . . . 10.0 110.99 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -78.7 -56.17 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.454 -179.457 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -94.85 -51.5 4.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.876 0.369 . . . . 10.0 111.442 -178.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.19 2.36 10.06 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.023 -0.608 . . . . 10.0 112.263 -179.304 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.9 mt -75.46 124.93 89.22 Favored Pre-proline 0 C--N 1.327 -0.392 0 O-C-N 122.905 -0.173 . . . . 10.0 110.878 -179.77 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 27.0 Cg_exo -62.33 137.5 65.85 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.692 2.261 . . . . 10.0 112.003 179.565 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 37.5 Cg_exo -57.95 -21.6 50.42 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.008 2.472 . . . . 10.0 112.805 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -68.98 -25.62 64.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.363 0.601 . . . . 10.0 110.277 179.279 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -107.23 9.34 30.16 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.696 -179.447 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -99.56 115.99 30.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.246 -179.624 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -118.1 100.63 7.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.809 0.338 . . . . 10.0 110.114 178.644 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 36.0 mt -88.7 132.27 34.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.048 -179.554 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -125.21 132.77 70.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.585 179.528 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.507 ' HB3' HD21 ' A' ' 50' ' ' LEU . 89.0 t80 -132.67 126.4 32.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.076 179.674 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.84 28.39 15.94 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.083 0.468 . . . . 10.0 111.641 179.433 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.26 -4.03 86.38 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.967 -0.635 . . . . 10.0 113.157 179.568 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -106.25 132.09 52.71 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.055 0.455 . . . . 10.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -75.77 129.36 36.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.769 -0.65 . . . . 10.0 109.454 179.397 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.507 HD21 ' HB3' ' A' ' 45' ' ' PHE . 21.8 mt -80.02 147.29 31.58 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.343 -0.389 . . . . 10.0 110.461 -179.629 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -89.58 -144.47 0.16 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.015 -0.538 . . . . 10.0 109.748 179.395 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.5 -59.83 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.656 -0.418 . . . . 10.0 111.8 -179.188 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.32 44.9 3.26 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.99 -0.624 . . . . 10.0 113.153 -178.672 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -125.3 151.96 45.31 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.642 -0.503 . . . . 10.0 109.642 179.862 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.2 p -93.97 165.15 12.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.665 0.269 . . . . 10.0 110.397 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.404 ' HB3' ' HB ' ' A' ' 61' ' ' ILE . 85.9 mt -64.74 -33.48 76.08 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.003 0.43 . . . . 10.0 110.563 179.739 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.81 -23.4 66.04 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.056 179.35 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -66.83 -25.29 66.36 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.0 0.429 . . . . 10.0 110.909 179.866 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -110.75 7.69 22.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.83 -179.873 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.8 t30 64.97 31.71 11.09 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.397 -0.82 . . . . 10.0 111.287 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.404 ' HB ' ' HB3' ' A' ' 56' ' ' LEU . 93.1 mt -79.02 119.57 28.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 109.2 -0.667 . . . . 10.0 109.2 179.129 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -113.7 -164.57 0.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.228 0.537 . . . . 10.0 111.427 -178.46 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.1 pttt -68.41 140.06 55.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.675 -0.693 . . . . 10.0 111.691 -179.449 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 57.46 44.54 21.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.26 -0.882 . . . . 10.0 112.282 179.28 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.5 m -98.61 143.83 28.57 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 178.368 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 22.6 m -95.05 121.63 36.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.228 0.537 . . . . 10.0 111.691 -179.413 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -113.11 147.37 37.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.514 -0.766 . . . . 10.0 109.105 179.092 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -108.86 134.63 51.28 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.848 0.356 . . . . 10.0 110.736 179.702 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.8 tp -111.75 110.43 20.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.989 -0.551 . . . . 10.0 111.008 -179.789 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.6 t -94.58 133.7 34.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.02 179.674 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.0 mt -82.27 130.95 35.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.874 -179.631 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -114.17 109.41 18.37 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.915 0.388 . . . . 10.0 110.675 179.817 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.6 mt -98.87 136.25 39.15 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 110.069 -0.345 . . . . 10.0 110.069 179.724 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 74' ' ' ARG . 11.2 ttp180 -141.13 111.39 6.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.67 -151.7 22.61 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.814 -0.708 . . . . 10.0 112.897 179.12 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.865 0 CA-C-O 118.529 -1.151 . . . . 10.0 112.193 179.857 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.479 1.012 0 N-CA-C 110.117 -0.327 . . . . 10.0 110.117 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -110.01 139.51 45.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.739 -179.621 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.6 pt -127.18 158.4 38.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.738 178.79 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -115.64 115.08 25.77 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.648 -0.251 . . . . 10.0 110.641 -179.585 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -98.99 121.13 49.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 110.19 -0.3 . . . . 10.0 110.19 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 39.2 tttp -97.88 139.23 34.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.639 -0.255 . . . . 10.0 110.483 -179.288 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 41.6 p -117.16 172.9 6.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.228 -179.643 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 40.4 mt -82.29 -4.08 56.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.123 179.731 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.13 7.07 46.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.142 0.496 . . . . 10.0 110.573 179.786 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.27 37.61 71.29 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.813 -0.631 . . . . 10.0 112.265 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -128.62 110.67 12.45 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.796 0.331 . . . . 10.0 110.869 -179.496 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 20.3 m -87.11 123.67 32.42 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.411 -0.588 . . . . 10.0 109.411 178.694 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 37.1 mt -103.69 136.69 35.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.404 -179.017 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.37 134.0 36.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.011 -0.541 . . . . 10.0 109.659 178.318 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 18.0 mt -134.61 131.41 37.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.848 0.356 . . . . 10.0 111.569 -179.788 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -88.5 105.83 17.88 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.06 178.306 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 29.6 m -136.45 169.9 19.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.378 -179.684 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.417 ' O ' HD12 ' B' ' 56' ' ' LEU . 5.7 mm-40 -126.18 157.83 68.55 Favored Pre-proline 0 C--N 1.317 -0.809 0 N-CA-C 108.496 -0.927 . . . . 10.0 108.496 178.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -56.57 -23.86 50.66 Favored 'Trans proline' 0 CA--C 1.529 0.266 0 C-N-CA 122.14 1.893 . . . . 10.0 111.946 179.677 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.63 -3.63 53.97 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.568 -0.742 . . . . 10.0 112.185 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -78.54 147.96 33.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.919 0.39 . . . . 10.0 110.186 -179.795 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.1 m -93.66 145.23 24.71 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.772 -179.394 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.8 mm -52.66 -39.95 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-O 120.969 0.414 . . . . 10.0 110.963 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -58.11 -39.07 77.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.635 -0.711 . . . . 10.0 111.236 179.565 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -76.03 -33.73 59.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.82 0.343 . . . . 10.0 110.787 -179.808 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.13 -52.05 65.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.728 179.751 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.424 ' H ' ' HG2' ' B' ' 27' ' ' LYS . 13.6 ptmt -68.42 -26.61 65.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.387 179.823 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.91 -30.21 69.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.174 0.511 . . . . 10.0 109.873 178.736 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -71.87 -36.1 69.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.705 -0.68 . . . . 10.0 109.549 178.787 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 66.3 mt -69.48 -31.07 47.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 N-CA-C 108.781 -0.822 . . . . 10.0 108.781 178.176 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.5 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 8.0 tt0 -67.41 -23.87 65.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.979 -1.009 . . . . 10.0 109.861 178.662 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -87.55 -38.14 16.26 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.554 179.631 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -75.0 -57.57 3.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.386 -179.674 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -88.55 -47.44 8.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.854 0.359 . . . . 10.0 110.994 -179.022 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.5 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 114.17 -4.17 23.77 Favored Glycine 0 N--CA 1.454 -0.122 0 C-N-CA 120.456 -0.878 . . . . 10.0 112.485 -179.775 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 35.0 mt -65.07 125.81 89.98 Favored Pre-proline 0 C--N 1.324 -0.51 0 C-N-CA 122.287 0.235 . . . . 10.0 111.167 -179.461 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.46 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 31.8 Cg_exo -58.29 144.62 95.67 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.78 2.32 . . . . 10.0 112.258 179.56 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 26.5 Cg_exo -60.94 -24.53 79.62 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.774 2.316 . . . . 10.0 113.122 -179.475 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -65.53 -45.34 83.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.04 0.448 . . . . 10.0 111.299 -179.874 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -78.11 -14.93 59.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.64 -178.957 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -82.83 111.62 18.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.149 -0.478 . . . . 10.0 112.122 -178.852 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -113.18 113.08 24.84 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.926 -0.768 . . . . 10.0 108.926 178.218 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 41.1 mt -91.07 116.53 28.88 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.869 0.366 . . . . 10.0 111.295 -178.288 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -112.58 137.38 45.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.277 179.643 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.487 ' HB3' HD21 ' B' ' 50' ' ' LEU . 32.7 t80 -134.46 124.37 25.5 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.037 -0.727 . . . . 10.0 109.037 178.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.09 13.96 6.17 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.089 -0.505 . . . . 10.0 112.097 179.516 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.7 -3.87 39.41 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.651 -0.785 . . . . 10.0 113.739 179.349 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -119.89 157.82 27.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 117.442 0.621 . . . . 10.0 110.488 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -88.53 144.77 26.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.321 0.581 . . . . 10.0 111.578 -178.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.487 HD21 ' HB3' ' B' ' 45' ' ' PHE . 19.8 mt -95.88 139.38 32.17 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.429 -0.805 . . . . 10.0 109.722 179.25 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.484 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 1.9 mt-10 -80.47 139.68 36.3 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.574 -0.528 . . . . 10.0 109.574 179.674 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.44 -40.13 74.27 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.286 0.476 . . . . 10.0 112.286 -179.101 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.39 46.33 3.2 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.84 -0.695 . . . . 10.0 113.235 -179.222 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.484 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 34.1 mmt180 -133.57 162.0 33.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.907 0.354 . . . . 10.0 110.425 179.399 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.09 160.47 14.61 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.993 179.395 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.417 HD12 ' O ' ' B' ' 18' ' ' GLU . 96.7 mt -62.49 -35.28 78.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.86 0.362 . . . . 10.0 110.895 -179.548 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.16 -20.99 66.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.706 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -66.66 -32.85 74.43 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.834 0.349 . . . . 10.0 110.958 -179.331 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -105.02 9.22 34.5 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.824 0.345 . . . . 10.0 110.21 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 63.89 32.18 13.42 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.557 -0.747 . . . . 10.0 111.265 -179.847 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 67.0 mt -77.79 107.47 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.122 0.487 . . . . 10.0 110.033 179.58 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -97.05 -165.43 1.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.616 -0.72 . . . . 10.0 111.327 -179.172 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 31.1 pttt -76.29 152.02 36.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.771 -0.65 . . . . 10.0 111.035 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 69.83 16.05 7.84 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.818 0.699 . . . . 10.0 111.651 179.45 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 28.3 m -82.1 150.3 27.57 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.787 0.327 . . . . 10.0 110.698 179.669 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.1 m -107.69 130.06 54.96 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.335 179.821 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 20.1 mt -110.86 145.92 37.39 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.877 0.37 . . . . 10.0 110.866 -179.497 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.544 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 34.7 m170 -101.07 119.47 38.8 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.168 179.691 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 43.4 tp -99.96 100.23 11.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.029 0.442 . . . . 10.0 110.467 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.533 HG11 HD12 ' D' ' 494' ' ' LEU . 54.8 t -86.28 131.47 34.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.16 -179.408 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 31.6 mt -90.97 134.23 34.65 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.029 -0.73 . . . . 10.0 109.029 178.845 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.47 148.17 52.62 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 121.127 -0.229 . . . . 10.0 110.953 -179.786 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -165.35 90.37 0.48 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.408 179.576 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -89.98 -14.86 33.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.4 -0.363 . . . . 10.0 111.44 -179.474 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -101.64 -159.94 26.83 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.69 -0.767 . . . . 10.0 111.854 179.763 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.292 0 CA-C-O 118.458 -1.19 . . . . 10.0 111.693 179.92 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.476 0.83 0 CA-C-O 120.497 0.189 . . . . 10.0 110.645 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 65.12 26.87 12.48 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.037 179.813 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -40.62 96.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.469 -179.218 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -71.82 -43.09 66.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.054 0.454 . . . . 10.0 110.179 -179.797 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 457' ' ' LEU . . . . . 0.519 HD22 ' HB3' ' D' ' 480' ' ' LEU . 57.7 mt -63.82 -41.1 97.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -60.63 -41.88 95.78 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.385 -0.371 . . . . 10.0 110.872 179.861 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -67.55 -46.39 72.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.905 179.771 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 42.2 mtm -62.64 -40.96 98.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.643 179.757 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.18 -38.72 90.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.476 179.412 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -61.95 -43.48 98.75 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.257 -0.428 . . . . 10.0 110.527 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -57.82 -42.83 85.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.934 0.397 . . . . 10.0 110.723 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 52.8 mt -72.26 -37.17 57.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.987 -0.552 . . . . 10.0 110.034 179.309 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 -60.37 -33.69 72.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.072 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -68.99 -21.33 64.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.816 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 467' ' ' MET . . . . . 0.544 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 8.2 mtm -101.48 -19.31 15.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.176 -179.688 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 468' ' ' PHE . . . . . 0.409 ' O ' HG12 ' D' ' 471' ' ' VAL . 0.5 OUTLIER -127.35 80.07 72.28 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-O 121.044 0.45 . . . . 10.0 109.876 179.119 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -77.23 39.45 0.73 Allowed 'Trans proline' 0 CA--C 1.531 0.339 0 C-N-CA 122.682 2.255 . . . . 10.0 112.946 -178.794 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -156.49 23.47 0.35 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.749 0.309 . . . . 10.0 111.299 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 471' ' ' VAL . . . . . 0.409 HG12 ' O ' ' D' ' 468' ' ' PHE . 14.0 p -120.18 134.67 24.09 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.651 -0.25 . . . . 10.0 110.424 -179.912 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 472' ' ' PRO . . . . . 0.458 ' O ' HG23 ' D' ' 476' ' ' VAL . 33.8 Cg_exo -61.4 119.71 6.99 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.501 2.134 . . . . 10.0 112.234 179.295 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -52.45 -45.09 65.88 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.706 -0.679 . . . . 10.0 111.881 -179.138 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 33.7 p-80 -61.57 -31.35 71.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.746 -179.317 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 475' ' ' LEU . . . . . 0.452 HD12 ' HG2' ' D' ' 472' ' ' PRO . 23.1 mt -76.3 -35.53 58.79 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.977 -0.379 . . . . 10.0 109.977 179.528 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 476' ' ' VAL . . . . . 0.458 HG23 ' O ' ' D' ' 472' ' ' PRO . 26.8 t -63.95 -41.4 92.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 109.213 -0.662 . . . . 10.0 109.213 178.69 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 78.8 mt -62.96 -35.27 79.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.521 -0.763 . . . . 10.0 110.099 178.927 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -63.89 -50.24 69.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.383 179.329 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -62.71 -40.67 97.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.211 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 480' ' ' LEU . . . . . 0.519 ' HB3' HD22 ' D' ' 457' ' ' LEU . 0.5 OUTLIER -59.94 -22.99 63.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.835 -0.621 . . . . 10.0 111.401 179.88 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -86.51 -15.59 39.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.941 0.4 . . . . 10.0 111.106 179.721 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -101.02 -52.53 3.26 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.075 -179.576 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 66.5 p -83.08 -49.66 9.3 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.946 -179.061 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 69.3 31.62 3.84 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.898 0.749 . . . . 10.0 110.782 179.744 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 2.0 t -147.16 125.58 12.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.149 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 28.4 m -60.35 -33.07 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 CA-C-N 116.631 -0.259 . . . . 10.0 111.642 -179.236 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -63.34 -53.97 44.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.045 0.45 . . . . 10.0 110.447 179.737 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 30.2 mt -65.56 -39.7 85.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.689 -0.687 . . . . 10.0 112.002 -178.694 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 489' ' ' THR . . . . . 0.44 ' O ' HG13 ' D' ' 493' ' ' ILE . 89.5 m -61.23 -53.13 60.77 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.714 0.264 . . . . 10.0 111.714 -179.4 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 1.4 m -64.3 -35.3 80.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.755 0.312 . . . . 10.0 110.579 -179.738 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -66.77 -39.66 87.94 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.491 -0.559 . . . . 10.0 109.491 179.007 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 492' ' ' ASN . . . . . 0.469 ' HB3' ' HB3' ' D' ' 497' ' ' ARG . 21.6 m-20 -59.41 -36.11 75.24 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.631 -0.713 . . . . 10.0 110.618 179.008 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 493' ' ' ILE . . . . . 0.44 HG13 ' O ' ' D' ' 489' ' ' THR . 47.8 mt -71.23 -37.01 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.443 179.185 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 494' ' ' LEU . . . . . 0.533 HD12 HG11 ' B' ' 70' ' ' VAL . 9.9 mt -82.41 12.81 4.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.894 -0.593 . . . . 10.0 111.408 -179.535 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -122.63 -86.13 0.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.081 -0.34 . . . . 10.0 110.081 179.103 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . -176.42 26.46 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.355 -0.926 . . . . 10.0 112.922 179.838 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 497' ' ' ARG . . . . . 0.469 ' HB3' ' HB3' ' D' ' 492' ' ' ASN . 9.6 tpp180 -90.17 -61.02 1.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.784 0.325 . . . . 10.0 110.262 179.927 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 31.7 mt -84.8 109.3 17.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 179.538 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -66.83 135.99 54.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.481 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 26.8 m -78.56 160.68 71.87 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.422 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -57.65 104.18 0.16 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.624 2.216 . . . . 10.0 111.41 179.41 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -111.19 133.8 21.25 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.358 -179.22 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -58.43 132.72 50.25 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.726 2.284 . . . . 10.0 111.823 179.253 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 8.5 t . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.138 -0.934 . . . . 10.0 109.59 -179.595 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 110.13 -0.322 . . . . 10.0 110.13 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -100.38 136.42 40.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.924 0.392 . . . . 10.0 111.548 -179.235 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.1 pt -126.57 164.85 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.746 -0.661 . . . . 10.0 109.787 178.74 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -122.06 114.46 20.96 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.784 0.326 . . . . 10.0 110.855 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.8 t -101.39 115.22 42.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 179.099 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.1 tttp -107.89 135.09 49.86 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.828 0.347 . . . . 10.0 110.921 -179.303 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.9 p -97.0 172.9 7.56 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.483 179.513 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 67.7 mt -67.02 -13.23 61.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.203 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.58 2.35 56.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.502 . . . . 10.0 111.06 179.864 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.23 -22.5 19.08 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.0 -0.619 . . . . 10.0 112.454 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -58.64 115.74 3.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.899 0.38 . . . . 10.0 110.573 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 m -102.87 128.67 49.55 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.525 -179.521 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mt -111.14 146.83 15.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.708 -179.211 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.7 m -107.37 126.66 52.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.177 179.539 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.8 mt -131.89 138.63 48.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.039 0.447 . . . . 10.0 111.153 -179.624 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -92.29 110.68 22.08 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.566 -0.743 . . . . 10.0 110.112 179.361 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.6 m -132.54 150.25 33.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.047 0.451 . . . . 10.0 110.803 -179.853 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -104.05 158.99 30.76 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.704 -0.68 . . . . 10.0 109.673 179.406 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.7 -15.86 33.92 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.671 2.247 . . . . 10.0 113.062 -179.852 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.99 11.59 29.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.501 -179.831 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -84.66 170.54 13.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.92 0.39 . . . . 10.0 110.281 179.779 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.459 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -121.8 144.37 48.85 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.449 -179.524 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.1 mm -54.96 -41.43 58.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-O 120.907 0.384 . . . . 10.0 110.909 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.54 -42.15 95.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.022 -0.536 . . . . 10.0 110.619 179.179 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -68.76 -39.63 80.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.912 -0.586 . . . . 10.0 110.814 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 22' ' ' THR . 98.0 t -59.62 -42.99 90.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.25 179.277 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -62.64 -34.09 76.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.412 179.39 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.71 -32.86 72.95 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.288 179.109 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -67.94 -41.71 82.1 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.418 -0.586 . . . . 10.0 109.418 178.745 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 54.3 mt -67.98 -35.34 71.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.854 -0.612 . . . . 10.0 109.568 178.711 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -61.07 -36.64 80.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.415 -0.811 . . . . 10.0 111.513 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -79.02 -23.49 44.32 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.414 0.524 . . . . 10.0 112.414 -178.345 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -95.32 -44.85 7.39 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.473 0.546 . . . . 10.0 112.473 -178.674 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -93.9 -26.68 16.77 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.644 0.259 . . . . 10.0 111.658 -178.801 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.87 11.38 63.62 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.616 -0.802 . . . . 10.0 112.523 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.0 mt -87.21 123.13 70.46 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 110.594 -0.151 . . . . 10.0 110.594 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -55.89 138.07 80.8 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.791 2.328 . . . . 10.0 112.457 179.8 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -63.91 -27.57 66.89 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.775 2.317 . . . . 10.0 112.453 -179.489 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -74.26 -20.65 60.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.5 179.773 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -107.87 17.58 22.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.529 -179.343 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -110.54 120.57 42.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.565 -0.743 . . . . 10.0 110.583 -179.833 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -122.71 115.39 21.99 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.99 -0.374 . . . . 10.0 109.99 179.256 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.4 mt -100.22 134.15 43.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.265 -179.249 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mp -125.95 135.28 64.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.137 179.378 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -127.94 117.62 22.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.455 179.407 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.31 21.43 10.91 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.727 -0.669 . . . . 10.0 112.157 179.498 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.99 -6.37 60.0 Favored Glycine 0 CA--C 1.517 0.165 0 C-N-CA 120.738 -0.744 . . . . 10.0 112.847 179.609 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -105.6 130.72 53.58 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.864 -0.421 . . . . 10.0 109.864 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -76.54 137.3 39.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.746 0.307 . . . . 10.0 110.309 -179.631 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.2 mt -89.52 130.29 35.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.986 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.474 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 32.6 mt-10 -82.25 153.03 26.09 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.814 -0.439 . . . . 10.0 109.814 179.231 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.83 -48.62 80.95 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.246 -0.433 . . . . 10.0 111.829 -179.256 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.9 54.76 4.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.796 -0.716 . . . . 10.0 113.014 -179.148 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.474 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 24.8 mmt180 -138.82 161.63 36.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 10.0 110.37 179.551 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 81.4 p -104.39 174.72 5.75 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.174 179.17 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.4 mt -73.1 -35.02 66.51 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.175 0.512 . . . . 10.0 110.069 179.415 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.38 -22.59 63.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.759 -0.655 . . . . 10.0 111.112 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.9 m-20 -58.75 -34.02 70.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.54 -179.855 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -109.17 18.43 20.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.448 -179.325 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.6 t30 58.96 34.32 23.54 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.7 mt -79.13 119.13 27.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.475 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -104.91 -167.85 1.4 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.611 -0.722 . . . . 10.0 109.613 179.319 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -75.34 159.66 31.19 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.316 -0.253 . . . . 10.0 110.316 179.263 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 62.81 30.21 16.67 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.885 179.273 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.5 m -94.86 142.07 27.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.76 0.314 . . . . 10.0 110.513 179.613 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.47 116.49 31.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.835 -179.919 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mp -101.22 137.57 39.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.961 -0.563 . . . . 10.0 109.676 179.797 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -97.81 121.43 39.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.256 -179.517 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.6 tp -104.55 117.88 35.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.587 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.1 t -103.35 134.22 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.438 179.854 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.8 mt -79.09 126.38 30.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.783 -179.841 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 40.1 ttt180 -111.64 85.07 2.06 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.277 -0.419 . . . . 10.0 110.566 -179.729 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.8 mt -68.94 139.76 55.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.088 -179.646 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -121.88 5.15 9.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.41 -179.829 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.3 -91.37 1.2 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.55 -0.833 . . . . 10.0 112.708 -179.835 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.239 -1.312 . . . . 10.0 111.284 -179.89 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.597 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 23.2 ptt? . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 120.915 0.388 . . . . 10.0 110.156 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -84.02 135.67 34.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.882 -179.252 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.9 pt -132.64 164.97 33.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.577 178.506 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.482 ' O ' ' HA ' ' B' ' 66' ' ' THR . 56.7 m-85 -125.72 121.18 32.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.696 -0.229 . . . . 10.0 110.559 -179.75 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 45.6 t -105.83 125.12 61.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.581 0.229 . . . . 10.0 110.411 179.7 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.5 ' HE2' ' OE1' ' D' ' 466' ' ' GLU . 45.7 tttp -102.77 142.43 33.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.857 0.361 . . . . 10.0 110.615 -179.821 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 16.6 p -118.13 162.09 18.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.594 179.825 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.4 HD22 ' HB ' ' D' ' 486' ' ' VAL . 18.0 mt -66.28 -15.9 63.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.057 0.456 . . . . 10.0 111.148 179.329 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.63 -2.33 57.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.833 179.491 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.62 26.49 58.86 Favored Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 115.88 -0.6 . . . . 10.0 112.604 179.572 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 35.2 tttm -108.98 126.91 53.6 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.166 -0.309 . . . . 10.0 110.166 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -96.83 123.07 40.43 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.368 179.756 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 28.4 mt -106.41 131.65 55.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.904 -179.168 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.93 131.94 49.51 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.089 -0.505 . . . . 10.0 109.717 179.332 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.477 HD11 HG12 ' B' ' 30' ' ' ILE . 9.2 mt -137.78 156.72 47.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.173 0.511 . . . . 10.0 111.994 -179.052 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -106.11 107.7 18.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.989 -1.005 . . . . 10.0 108.48 178.326 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.597 ' O ' ' HG2' ' B' ' 1' ' ' MET . 14.4 m -135.72 145.17 31.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.988 -178.654 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.553 ' O ' HD12 ' B' ' 56' ' ' LEU . 25.8 mm-40 -96.9 155.14 37.93 Favored Pre-proline 0 C--N 1.318 -0.779 0 N-CA-C 109.603 -0.518 . . . . 10.0 109.603 178.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -56.96 -22.82 48.37 Favored 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 122.461 2.107 . . . . 10.0 112.643 -179.896 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.86 12.66 29.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.867 -179.531 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -84.51 153.44 23.29 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.936 -0.394 . . . . 10.0 109.936 179.579 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.51 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.6 OUTLIER -92.07 148.63 22.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.544 -0.298 . . . . 10.0 111.336 -179.115 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 46.3 mm -58.31 -44.32 88.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.647 179.716 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.27 -34.71 74.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.657 179.662 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -71.4 -37.14 71.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.346 179.731 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.51 HG23 ' O ' ' B' ' 22' ' ' THR . 57.7 t -61.12 -41.39 89.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.421 -0.585 . . . . 10.0 109.421 178.586 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -66.44 -31.04 71.54 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.694 -0.685 . . . . 10.0 110.114 179.122 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.31 -33.73 76.4 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.19 0.519 . . . . 10.0 110.069 178.843 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -69.87 -38.86 76.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.768 179.112 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.477 HG12 HD11 ' B' ' 15' ' ' LEU . 45.1 mt -71.35 -32.56 47.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.575 0.702 . . . . 10.0 109.119 178.214 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.504 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 37.3 tt0 -64.52 -32.26 73.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.997 -1.001 . . . . 10.0 110.215 179.211 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -81.83 -41.3 21.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.994 179.875 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -69.53 -64.06 0.95 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.95 -0.568 . . . . 10.0 112.401 -179.152 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -83.38 -44.66 14.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.418 -0.355 . . . . 10.0 111.468 -178.467 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.504 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 100.6 41.8 2.64 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.552 -0.832 . . . . 10.0 112.076 -179.372 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 58.9 mt -107.69 125.37 32.38 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 110.525 -0.176 . . . . 10.0 110.525 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.22 138.63 54.66 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.859 2.373 . . . . 10.0 112.387 179.443 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.06 -17.06 54.47 Favored 'Trans proline' 0 C--O 1.236 0.375 0 C-N-CA 122.624 2.216 . . . . 10.0 112.411 -179.026 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -73.71 -33.1 64.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.722 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -93.64 -16.19 24.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.88 -179.422 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -74.72 93.78 2.62 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.667 -179.776 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.442 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 12.0 mtp180 -101.1 102.15 13.04 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.852 -0.795 . . . . 10.0 108.852 178.31 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.411 ' HB3' HD12 ' B' ' 50' ' ' LEU . 11.2 mt -83.83 134.63 34.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.995 0.426 . . . . 10.0 111.961 -178.609 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.2 mp -127.16 142.36 43.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.439 -0.8 . . . . 10.0 109.765 179.319 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.456 ' HB3' HD21 ' B' ' 50' ' ' LEU . 59.2 t80 -137.1 109.34 7.28 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.775 -0.454 . . . . 10.0 109.775 179.231 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.35 31.03 10.77 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.425 179.724 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.03 -6.55 79.03 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.656 -0.783 . . . . 10.0 113.338 179.189 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -109.12 140.65 42.41 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 122.633 -0.334 . . . . 10.0 110.185 179.879 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.05 143.43 43.48 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 110.209 -0.293 . . . . 10.0 110.209 179.859 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.456 HD21 ' HB3' ' B' ' 45' ' ' PHE . 81.3 mt -92.13 115.08 27.76 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.244 179.793 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.422 ' HB3' ' CG ' ' B' ' 54' ' ' ARG . 38.6 tt0 -67.38 122.29 17.6 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 178.867 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -53.57 -33.36 54.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.599 -0.728 . . . . 10.0 112.536 -177.939 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.78 24.4 6.7 Favored Glycine 0 CA--C 1.521 0.432 0 C-N-CA 120.88 -0.676 . . . . 10.0 113.745 -179.236 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.422 ' CG ' ' HB3' ' B' ' 51' ' ' GLU . 26.8 mmm-85 -122.56 171.56 9.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 117.335 0.567 . . . . 10.0 110.247 179.406 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.448 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 62.8 p -105.58 175.29 5.55 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.284 179.356 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.553 HD12 ' O ' ' B' ' 18' ' ' GLU . 78.1 mt -68.24 -29.75 68.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.113 0.482 . . . . 10.0 110.282 178.937 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 67.4 m -73.07 -19.13 61.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.842 179.857 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.4 m-20 -65.68 -28.58 69.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.712 179.566 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -116.56 14.76 15.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.856 -179.492 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 57.67 32.21 21.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.686 -0.688 . . . . 10.0 112.026 179.294 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 92.0 mt -69.98 122.88 22.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 179.306 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -113.18 -167.62 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.079 0.466 . . . . 10.0 111.201 -178.518 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 6.2 pttp -73.61 147.08 44.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.328 179.557 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 65.54 11.92 7.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.511 -0.768 . . . . 10.0 112.153 179.484 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 67.0 m -76.82 137.53 39.29 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.894 0.378 . . . . 10.0 110.011 179.177 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.482 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 2.0 m -93.8 124.98 38.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.923 -0.58 . . . . 10.0 111.242 -179.551 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 mp -106.1 154.2 20.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.774 179.499 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.477 ' HB3' ' SD ' ' D' ' 467' ' ' MET . 29.3 m80 -111.97 130.46 55.85 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.515 -0.311 . . . . 10.0 110.234 -179.924 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 50.1 tp -115.02 113.49 24.16 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.829 0.347 . . . . 10.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.442 ' HB ' ' HB2' ' B' ' 42' ' ' ARG . 58.8 t -92.86 125.07 45.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.436 179.842 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 49.1 mt -88.72 105.28 17.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.406 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.468 ' HD2' ' OD1' ' D' ' 491' ' ' ASP . 18.6 ttt85 -81.5 147.22 29.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.615 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 5.2 mp -128.18 -173.54 2.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.346 179.66 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -87.26 25.69 1.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.055 -179.87 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -111.63 7.19 28.03 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.901 -0.666 . . . . 10.0 111.95 179.774 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 CA-C-O 118.635 -1.092 . . . . 10.0 112.086 -179.661 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 120.476 0.179 . . . . 10.0 110.785 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 62.37 20.42 11.83 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 122.885 0.474 . . . . 10.0 111.426 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.57 -46.52 63.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.337 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -66.57 -36.56 82.94 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.838 -0.43 . . . . 10.0 109.838 179.314 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 77.2 mt -64.41 -42.94 95.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.899 -0.592 . . . . 10.0 110.035 179.147 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 -61.69 -46.31 90.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.168 179.734 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.99 -41.51 97.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.967 -0.56 . . . . 10.0 111.005 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 43.1 mtm -64.73 -36.16 83.39 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -67.15 -30.92 71.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.24 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 462' ' ' HIS . . . . . 0.442 ' O ' ' HG3' ' D' ' 466' ' ' GLU . 67.8 t60 -59.53 -43.86 93.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.795 -179.724 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.51 -33.61 70.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.18 0.514 . . . . 10.0 111.276 -179.673 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 84.6 mt -77.24 -35.64 22.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.363 179.712 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -65.77 -29.86 70.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.634 179.677 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 466' ' ' GLU . . . . . 0.5 ' OE1' ' HE2' ' B' ' 6' ' ' LYS . 57.1 mt-10 -67.22 -23.4 65.72 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.514 179.252 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 467' ' ' MET . . . . . 0.477 ' SD ' ' HB3' ' B' ' 68' ' ' HIS . 32.3 mtm -99.82 -37.28 9.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.716 -179.551 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 468' ' ' PHE . . . . . 0.428 ' O ' HG12 ' D' ' 471' ' ' VAL . 25.4 m-85 -118.51 90.8 40.12 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.192 179.453 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo -82.82 3.08 8.09 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.7 2.267 . . . . 10.0 112.371 -179.383 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -116.12 27.33 9.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.126 -179.738 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 471' ' ' VAL . . . . . 0.459 ' HA ' ' HD3' ' D' ' 472' ' ' PRO . 6.2 p -123.52 137.11 28.02 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.233 -0.439 . . . . 10.0 109.945 179.299 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 472' ' ' PRO . . . . . 0.57 ' HG2' HD12 ' D' ' 475' ' ' LEU . 22.8 Cg_exo -66.79 126.1 14.8 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.534 2.156 . . . . 10.0 112.696 179.516 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -55.12 -45.98 75.56 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.471 -0.786 . . . . 10.0 111.724 -179.483 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 44.7 p-80 -64.83 -25.02 67.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.784 -179.295 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 475' ' ' LEU . . . . . 0.57 HD12 ' HG2' ' D' ' 472' ' ' PRO . 12.4 mt -80.42 -33.6 36.8 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.074 -0.343 . . . . 10.0 110.074 179.315 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 89.6 t -67.61 -40.04 83.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 108.652 -0.87 . . . . 10.0 108.652 178.185 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 477' ' ' LEU . . . . . 0.449 ' O ' ' HG3' ' D' ' 481' ' ' GLN . 66.1 mt -64.68 -21.39 66.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.149 -0.932 . . . . 10.0 110.709 178.906 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -70.65 -52.43 21.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.236 179.609 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -67.22 -35.25 79.2 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.976 0.417 . . . . 10.0 110.253 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -25.37 62.83 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.749 -0.659 . . . . 10.0 111.226 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 481' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' D' ' 477' ' ' LEU . 77.8 mt-30 -85.25 -15.42 43.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.701 0.286 . . . . 10.0 111.218 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 482' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' D' ' 482' ' ' LEU . 2.1 mm? -98.06 -58.19 2.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.472 -0.331 . . . . 10.0 110.955 -179.524 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 46.9 p -77.62 -44.07 29.48 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.826 0.346 . . . . 10.0 110.658 -179.376 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 68.77 32.7 3.98 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.348 -0.842 . . . . 10.0 111.117 179.532 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 1.9 t -147.43 115.34 6.47 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.355 -0.839 . . . . 10.0 109.127 179.278 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 486' ' ' VAL . . . . . 0.4 ' HB ' HD22 ' B' ' 8' ' ' LEU . 13.0 m -58.12 -33.2 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.371 . . . . 10.0 111.335 -179.651 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 30.1 mp0 -63.28 -52.45 61.95 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.816 179.458 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 488' ' ' ILE . . . . . 0.408 ' O ' ' HB2' ' D' ' 492' ' ' ASN . 60.6 mt -67.09 -40.29 85.05 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.531 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.115 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 489' ' ' THR . . . . . 0.558 ' O ' HG13 ' D' ' 493' ' ' ILE . 65.1 m -57.79 -57.46 12.64 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.082 0.401 . . . . 10.0 112.082 -179.014 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 490' ' ' THR . . . . . 0.45 HG21 ' CE ' ' D' ' 467' ' ' MET . 2.5 m -58.21 -40.1 80.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.126 0.488 . . . . 10.0 111.1 -179.174 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 491' ' ' ASP . . . . . 0.468 ' OD1' ' HD2' ' B' ' 72' ' ' ARG . 6.6 t70 -68.43 -42.07 79.44 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.335 -0.848 . . . . 10.0 110.455 179.664 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 492' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' D' ' 488' ' ' ILE . 53.7 t30 -62.5 -29.36 70.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.383 -0.826 . . . . 10.0 110.633 179.367 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 493' ' ' ILE . . . . . 0.558 HG13 ' O ' ' D' ' 489' ' ' THR . 89.9 mt -63.29 -39.09 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.137 0 N-CA-C 109.329 -0.619 . . . . 10.0 109.329 178.338 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.11 -21.46 65.85 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.557 179.12 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -77.86 -16.52 58.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.83 179.629 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 93.33 14.48 53.79 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.801 -0.714 . . . . 10.0 112.873 179.834 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.73 -46.3 63.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.205 0.526 . . . . 10.0 110.508 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 3.0 mp -81.65 128.8 38.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.317 179.472 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 69.4 mm-40 -66.05 121.68 15.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.817 -179.439 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 7.2 m -74.13 150.72 87.9 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.369 179.473 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -55.76 116.05 2.89 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.621 2.214 . . . . 10.0 112.16 179.898 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -128.39 125.64 23.31 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.415 -179.845 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.02 97.53 0.41 Allowed 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.665 2.243 . . . . 10.0 111.927 179.658 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.097 -0.954 . . . . 10.0 109.482 179.919 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.51 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 26.2 ptt? . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.678 0.275 . . . . 10.0 110.359 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -101.0 129.68 46.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.626 179.798 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.2 pt -123.75 160.99 26.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.142 -0.481 . . . . 10.0 109.947 179.176 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.478 ' O ' ' HA ' ' A' ' 66' ' ' THR . 88.6 m-85 -122.64 122.8 39.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.636 0.255 . . . . 10.0 110.763 -179.443 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.8 t -109.14 120.32 60.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.796 -0.446 . . . . 10.0 109.796 179.271 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.2 mttp -106.85 135.35 48.55 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.994 0.425 . . . . 10.0 110.981 -179.502 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 69.0 p -97.33 176.53 5.86 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.358 179.279 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.8 mt -77.9 -7.12 56.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.028 0.442 . . . . 10.0 110.466 179.463 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.77 2.7 52.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.429 -179.767 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.24 27.5 44.13 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.996 -0.621 . . . . 10.0 112.398 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -101.15 125.88 47.81 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.277 -0.268 . . . . 10.0 110.277 -179.754 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.5 m -105.86 102.52 11.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.121 0.486 . . . . 10.0 110.404 179.687 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.4 mp -91.59 121.65 42.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.599 -179.806 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.86 134.83 33.99 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.494 179.052 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.52 147.48 37.85 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.557 0.218 . . . . 10.0 111.204 -179.183 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -113.96 108.43 17.02 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 178.771 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.51 ' O ' ' HG2' ' A' ' 1' ' ' MET . 2.8 m -138.04 -176.36 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.571 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.499 ' O ' HD12 ' A' ' 56' ' ' LEU . 16.1 mm-40 -132.7 160.03 70.07 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 110.255 -0.276 . . . . 10.0 110.255 179.717 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.527 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 50.7 Cg_exo -54.17 -27.21 45.7 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.851 2.367 . . . . 10.0 113.438 -179.869 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.77 0.18 44.89 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.207 0.447 . . . . 10.0 112.207 -179.396 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.83 140.12 35.59 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.889 0.376 . . . . 10.0 110.414 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -81.1 140.29 35.15 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.943 -0.572 . . . . 10.0 110.3 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.5 mm -54.51 -40.75 51.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 120.799 0.333 . . . . 10.0 111.331 -179.713 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.87 -41.76 87.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.414 179.309 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -67.49 -36.39 81.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.965 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.409 ' O ' HG13 ' A' ' 30' ' ' ILE . 86.3 t -61.71 -47.38 93.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.841 178.826 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -63.98 -36.02 82.59 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.197 179.295 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.32 -29.58 70.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.651 179.532 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -76.29 -35.3 58.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.151 179.078 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 26' ' ' VAL . 66.2 mt -67.24 -34.03 66.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.036 179.273 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -65.43 -31.42 72.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.728 179.579 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -78.15 -35.42 48.92 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.166 179.744 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -70.8 -61.38 1.79 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.997 179.566 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -88.79 -70.68 0.63 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.969 -179.07 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.8 44.36 0.13 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 10.0 112.126 -179.688 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.415 HG21 HD22 ' A' ' 71' ' ' LEU . 41.3 mt -114.57 126.64 27.69 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 110.478 -0.193 . . . . 10.0 110.478 -179.324 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.69 139.26 58.47 Favored 'Trans proline' 0 CA--C 1.533 0.436 0 C-N-CA 122.837 2.358 . . . . 10.0 112.377 179.434 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -65.65 -17.19 56.26 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.772 2.315 . . . . 10.0 112.157 -179.473 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -76.56 -33.21 58.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.573 -0.739 . . . . 10.0 110.364 179.398 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -95.09 -6.41 42.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.676 -179.558 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -84.75 111.72 19.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.85 -0.614 . . . . 10.0 111.918 -179.189 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.2 mtt180 -117.24 110.89 18.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.068 178.871 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 70.5 mt -98.1 126.88 43.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.114 -0.493 . . . . 10.0 111.264 -179.835 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -121.81 134.48 64.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.626 179.46 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -130.92 118.5 20.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.533 -0.303 . . . . 10.0 110.596 179.782 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.09 25.05 13.43 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.944 -0.571 . . . . 10.0 112.11 179.257 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.58 -17.14 58.83 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.894 -0.669 . . . . 10.0 112.57 179.873 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -94.91 132.59 39.57 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.034 0.445 . . . . 10.0 111.056 -179.719 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -79.1 133.12 36.77 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.343 179.325 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.6 mt -83.9 123.43 29.93 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.798 0.333 . . . . 10.0 110.742 -179.251 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.511 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 6.1 mt-10 -80.92 145.72 31.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.326 179.789 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -55.97 -49.12 74.45 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.654 0.613 . . . . 10.0 112.654 -178.797 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.77 32.88 3.36 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 120.731 -0.747 . . . . 10.0 114.641 -177.631 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.511 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 41.3 mmt-85 -124.63 167.15 14.91 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 117.665 0.732 . . . . 10.0 110.326 179.341 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.1 p -107.98 165.04 11.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.502 -0.317 . . . . 10.0 110.924 179.69 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.527 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 90.7 mt -63.5 -31.08 72.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.149 -179.848 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 p -70.99 -18.84 62.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.747 -179.574 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -66.57 -30.61 70.95 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.849 0.357 . . . . 10.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -107.03 13.05 27.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.487 -179.602 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 59.0 32.33 22.18 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.273 -0.876 . . . . 10.0 111.56 -179.693 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.0 mt -73.78 111.17 8.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.837 -0.431 . . . . 10.0 109.837 179.73 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -103.2 -164.93 1.12 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.628 -179.287 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -74.68 155.38 37.8 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.695 0.283 . . . . 10.0 111.256 -179.724 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 65.15 13.74 8.93 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.655 -0.702 . . . . 10.0 112.401 179.656 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.3 m -78.67 145.18 34.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.734 0.302 . . . . 10.0 110.549 179.821 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.478 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 72.1 m -106.22 119.62 39.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.779 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 mp -102.08 147.91 26.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.637 -0.71 . . . . 10.0 109.645 179.63 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 22.9 m80 -104.85 128.88 53.2 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.981 -0.377 . . . . 10.0 109.981 179.9 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.1 tp -109.12 112.36 24.49 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.052 0.453 . . . . 10.0 111.11 -179.611 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.4 t -105.66 133.29 50.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.677 -0.692 . . . . 10.0 109.186 178.928 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.415 HD22 HG21 ' A' ' 36' ' ' ILE . 61.8 mt -101.03 134.01 44.66 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.716 0.293 . . . . 10.0 110.849 -179.244 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 47.9 ttt-85 -101.05 119.28 38.51 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.563 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 98.1 mt -86.37 144.07 27.52 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.308 179.372 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.67 131.63 26.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.072 179.815 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 141.11 -88.11 0.19 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.914 -0.66 . . . . 10.0 112.161 179.465 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.198 0 CA-C-O 118.735 -1.036 . . . . 10.0 111.191 -179.78 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptt? . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 110.154 -0.313 . . . . 10.0 110.154 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 60.4 mm-40 -107.75 145.34 33.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.845 0.355 . . . . 10.0 111.543 -179.149 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 23.3 pt -130.98 161.07 41.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.675 178.624 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -114.36 108.24 16.63 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.655 0.264 . . . . 10.0 110.871 -179.287 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 83.5 t -95.58 118.07 41.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.441 -0.577 . . . . 10.0 109.441 178.877 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -103.22 139.1 39.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.046 0.45 . . . . 10.0 111.051 -178.879 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 7.9 p -111.68 168.08 9.84 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.749 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 28.0 mt -69.51 -13.07 62.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.163 179.804 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.83 -1.31 57.12 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.615 179.398 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.83 12.46 79.8 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.95 -0.568 . . . . 10.0 112.485 179.587 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -94.73 128.52 41.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.614 0.245 . . . . 10.0 110.401 -179.885 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.8 m -108.26 111.37 23.29 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 179.413 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mt -99.72 129.99 49.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.967 -0.56 . . . . 10.0 111.202 -178.244 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -94.71 129.37 41.65 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.276 -0.639 . . . . 10.0 109.276 178.457 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mp -131.85 153.17 50.46 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.946 0.403 . . . . 10.0 111.596 -179.229 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -94.83 118.05 31.13 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.405 -0.816 . . . . 10.0 109.807 179.571 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 14.0 m -137.54 165.91 25.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.602 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.554 ' O ' HD12 ' B' ' 56' ' ' LEU . 75.3 mm-40 -119.24 154.59 53.82 Favored Pre-proline 0 C--N 1.32 -0.702 0 N-CA-C 109.454 -0.573 . . . . 10.0 109.454 179.684 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -57.1 -29.5 83.45 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.319 2.013 . . . . 10.0 112.605 -179.713 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.88 4.64 51.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.151 -0.477 . . . . 10.0 111.561 -179.719 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -71.42 140.25 50.02 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.874 -0.417 . . . . 10.0 109.874 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.3 m -81.95 143.02 31.93 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.776 -179.405 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 50.8 mm -55.59 -35.61 39.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 116.255 -0.429 . . . . 10.0 111.207 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.52 -36.31 75.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.747 179.473 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.43 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 97.6 m-20 -65.73 -38.6 89.6 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 179.615 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 28.8 t -61.68 -42.09 92.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.749 -0.66 . . . . 10.0 109.915 179.492 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -58.56 -42.23 87.46 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.692 -0.685 . . . . 10.0 110.246 179.425 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.4 -39.59 85.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.872 179.741 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 98.9 mttt -63.42 -42.43 98.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.601 179.791 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 90.7 mt -64.94 -34.95 73.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.094 0.473 . . . . 10.0 110.175 179.298 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.406 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 61.2 tt0 -66.85 -29.79 69.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.689 179.741 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -76.55 -18.32 58.75 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.863 0.363 . . . . 10.0 111.061 179.864 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -98.18 -55.91 2.63 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.321 -0.399 . . . . 10.0 111.346 -179.616 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -85.81 -38.05 18.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.163 0.506 . . . . 10.0 111.467 -179.128 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 98.94 2.01 57.18 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.913 -0.66 . . . . 10.0 111.943 -178.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.9 mt -78.78 120.64 81.64 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 110.205 -0.295 . . . . 10.0 110.205 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 32.0 Cg_exo -58.36 143.96 96.86 Favored 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 122.521 2.148 . . . . 10.0 111.918 179.183 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 48.0 Cg_exo -55.72 -25.11 49.51 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.215 2.61 . . . . 10.0 113.037 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -68.5 -17.24 64.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.436 . . . . 10.0 111.079 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -114.52 9.58 16.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.389 -179.844 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -100.98 126.26 47.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.331 -179.317 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -123.36 106.09 10.38 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.143 -0.481 . . . . 10.0 109.793 178.932 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 37.5 mt -93.06 123.19 36.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.983 -178.898 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.414 HG12 ' CZ ' ' D' ' 468' ' ' PHE . 1.6 mp -119.39 133.98 64.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.479 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.759 ' HB3' HD21 ' B' ' 50' ' ' LEU . 81.1 t80 -137.14 129.57 29.87 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.306 -0.627 . . . . 10.0 109.306 179.203 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.59 34.46 22.33 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.022 -0.535 . . . . 10.0 111.482 -179.754 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.63 26.24 70.19 Favored Glycine 0 C--N 1.332 0.33 0 CA-C-N 115.96 -0.564 . . . . 10.0 113.799 178.953 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -147.39 159.83 43.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.948 0.374 . . . . 10.0 110.702 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -83.14 154.67 24.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.934 0.397 . . . . 10.0 111.647 -179.491 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.759 HD21 ' HB3' ' B' ' 45' ' ' PHE . 28.0 mt -112.67 135.43 53.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.614 179.033 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.48 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 7.4 mt-10 -83.04 147.07 28.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.831 0.348 . . . . 10.0 110.288 179.816 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.62 -29.97 69.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.359 -179.192 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.11 37.7 3.3 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.796 -0.716 . . . . 10.0 112.693 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.48 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 33.3 mmt180 -134.07 166.25 23.18 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.052 -0.351 . . . . 10.0 110.052 179.436 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.565 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 35.6 p -106.89 171.82 7.16 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.871 178.845 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.554 HD12 ' O ' ' B' ' 18' ' ' GLU . 88.3 mt -68.48 -38.4 80.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.939 0.399 . . . . 10.0 110.693 179.835 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 24.6 m -69.25 -12.84 62.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.134 179.864 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.565 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.0 OUTLIER -66.61 -34.55 78.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.053 0.454 . . . . 10.0 110.544 179.705 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -108.83 19.5 19.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.19 -179.225 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 61.2 31.52 19.54 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.328 179.633 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 82.8 mt -78.88 117.66 24.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.016 0.436 . . . . 10.0 110.643 -179.519 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -102.5 -169.68 1.7 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.21 179.636 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -80.85 157.96 25.51 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.596 -0.52 . . . . 10.0 109.596 178.793 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 67.13 18.72 10.45 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.62 0.575 . . . . 10.0 111.112 -179.891 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.8 m -87.62 150.9 23.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.473 -0.33 . . . . 10.0 110.408 179.614 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.7 m -102.15 127.8 48.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.07 179.759 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mp -111.43 133.67 53.56 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 179.441 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -92.31 119.29 31.74 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.565 -0.289 . . . . 10.0 110.692 -179.511 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 44.8 tp -101.68 101.01 11.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.116 0.484 . . . . 10.0 110.031 179.061 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 53.5 t -83.12 127.73 39.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.584 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 49.5 mt -82.86 146.55 28.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.987 179.712 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.418 ' HG3' ' CG ' ' D' ' 491' ' ' ASP . 26.3 ttt180 -145.71 130.92 18.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.559 179.854 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 11.3 mt -93.6 -169.08 2.03 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.777 179.858 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -116.41 -4.17 11.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.451 0.643 . . . . 10.0 109.832 178.66 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 166.0 139.81 2.74 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.257 -0.883 . . . . 10.0 111.008 -179.914 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.334 -1.259 . . . . 10.0 111.743 179.985 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 2.9 p . . . . . 0 N--CA 1.472 0.662 0 N-CA-C 110.368 -0.234 . . . . 10.0 110.368 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 64.03 28.28 14.3 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.864 179.777 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -64.04 -32.97 74.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.525 -179.685 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -64.15 -39.45 94.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.193 179.307 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 42.6 mt -67.61 -45.4 75.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.08 179.53 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -59.73 -43.42 94.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.465 179.371 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -65.39 -44.76 86.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.122 179.836 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 57.1 mtm -65.23 -43.41 91.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.57 -38.46 91.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.497 179.605 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -58.76 -38.62 78.84 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.889 179.136 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -68.38 -38.98 81.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.394 179.514 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 76.7 mt -68.15 -35.0 69.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.481 179.696 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -61.41 -28.36 69.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.115 -179.807 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -86.91 -6.66 58.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.048 0.451 . . . . 10.0 110.816 179.507 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 74.4 mmm -94.58 -39.21 10.49 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 179.172 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 468' ' ' PHE . . . . . 0.524 ' O ' HG12 ' D' ' 471' ' ' VAL . 0.9 OUTLIER -131.77 88.03 43.53 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.993 179.095 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -75.97 31.53 0.39 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.681 2.254 . . . . 10.0 112.93 -179.492 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -133.8 14.01 4.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.236 -179.765 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 471' ' ' VAL . . . . . 0.524 HG12 ' O ' ' D' ' 468' ' ' PHE . 11.4 p -119.41 135.92 24.29 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.178 -179.843 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 472' ' ' PRO . . . . . 0.443 ' O ' HG23 ' D' ' 476' ' ' VAL . 31.7 Cg_exo -60.82 116.48 3.38 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 122.569 2.179 . . . . 10.0 112.267 179.389 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -54.38 -41.21 68.95 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.798 -0.637 . . . . 10.0 112.282 -179.031 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -64.42 -25.69 68.13 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.681 0.276 . . . . 10.0 111.514 -179.461 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 475' ' ' LEU . . . . . 0.409 HD12 ' HG2' ' D' ' 472' ' ' PRO . 24.0 mt -83.95 -31.18 25.71 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.682 -0.488 . . . . 10.0 109.682 179.184 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 476' ' ' VAL . . . . . 0.443 HG23 ' O ' ' D' ' 472' ' ' PRO . 58.2 t -66.14 -46.95 86.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 178.687 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.01 -25.66 68.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.45 -0.796 . . . . 10.0 110.394 179.351 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -68.54 -45.72 71.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.152 179.268 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -66.04 -34.08 77.26 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 179.433 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -61.26 -17.86 55.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.449 -0.796 . . . . 10.0 111.224 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -83.5 -18.93 36.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.889 0.376 . . . . 10.0 110.837 179.334 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -103.66 -47.18 4.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.63 -178.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 55.6 p -87.11 -50.02 6.91 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.636 -0.256 . . . . 10.0 111.49 -179.041 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 20.1 mtt180 66.53 27.38 9.7 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.099 -0.501 . . . . 10.0 111.237 179.838 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 3.9 t -147.47 128.63 14.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.939 0.399 . . . . 10.0 110.851 -179.67 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 19.8 m -66.7 -24.13 32.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.844 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -75.45 -11.88 60.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.29 -179.78 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 33.4 mt -109.04 -48.38 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.387 -0.369 . . . . 10.0 110.397 179.475 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 489' ' ' THR . . . . . 0.548 ' O ' HG13 ' D' ' 493' ' ' ILE . 35.4 m -55.76 -59.29 5.07 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.39 -0.368 . . . . 10.0 111.657 -179.553 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -35.02 74.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.482 -179.229 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 491' ' ' ASP . . . . . 0.418 ' CG ' ' HG3' ' B' ' 72' ' ' ARG . 0.0 OUTLIER -68.33 -52.44 33.36 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.646 -0.502 . . . . 10.0 109.646 178.776 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' D' D ' 492' ' ' ASN . . . . . 0.433 ' HB3' ' HB3' ' D' ' 497' ' ' ARG . 1.1 m-80 -60.81 -20.14 60.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.21 -0.905 . . . . 10.0 111.74 -179.845 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 493' ' ' ILE . . . . . 0.548 HG13 ' O ' ' D' ' 489' ' ' THR . 34.3 mt -64.7 -42.45 95.07 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 N-CA-C 109.384 -0.599 . . . . 10.0 109.384 178.116 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 5.6 mt -77.91 -12.93 60.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.204 179.56 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -84.82 -56.0 3.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.848 -0.614 . . . . 10.0 110.636 179.639 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 140.0 26.91 0.23 Allowed Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.629 -0.796 . . . . 10.0 112.732 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 497' ' ' ARG . . . . . 0.433 ' HB3' ' HB3' ' D' ' 492' ' ' ASN . 22.7 tpp180 -79.82 -53.41 6.81 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.59 -0.522 . . . . 10.0 109.59 179.189 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 4.5 mp -86.94 124.9 40.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.403 179.394 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -71.25 126.88 30.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.084 0.468 . . . . 10.0 111.164 -179.322 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 26.5 m -74.02 164.52 60.57 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.172 179.527 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -69.32 73.07 1.19 Allowed 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.611 2.207 . . . . 10.0 112.269 179.54 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -75.27 129.66 81.95 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.679 -0.691 . . . . 10.0 109.847 179.602 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.39 100.57 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.664 2.242 . . . . 10.0 112.291 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.255 -0.879 . . . . 10.0 109.547 179.568 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.482 1.135 0 CA-C-O 120.624 0.25 . . . . 10.0 110.524 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -102.15 143.54 31.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.819 0.342 . . . . 10.0 111.383 -179.468 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.5 pt -132.61 163.0 38.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 177.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.516 ' O ' ' HA ' ' A' ' 66' ' ' THR . 47.3 m-85 -118.9 118.66 32.14 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.82 0.343 . . . . 10.0 110.898 -179.431 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.7 t -101.9 114.98 42.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.817 -0.438 . . . . 10.0 109.817 179.294 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -99.8 128.71 45.88 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.105 0.478 . . . . 10.0 110.69 -179.643 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.3 p -96.54 168.79 10.32 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.656 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.2 mt -64.45 -21.27 66.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.182 0.515 . . . . 10.0 110.271 179.106 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.82 -15.23 60.75 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.194 -0.912 . . . . 10.0 111.087 179.608 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.71 -1.96 64.14 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.845 -0.693 . . . . 10.0 111.714 -179.109 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -80.69 125.56 30.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.669 0.271 . . . . 10.0 110.316 -179.799 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -105.19 115.96 31.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.418 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.9 mt -103.41 128.94 56.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.728 -179.392 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.3 m -89.02 125.81 35.15 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.6 -0.518 . . . . 10.0 109.6 178.69 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.3 mt -123.17 146.99 47.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.871 0.367 . . . . 10.0 111.469 -179.28 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -97.71 112.72 24.49 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.684 178.851 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.8 m -135.76 -178.94 2.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.681 -0.691 . . . . 10.0 110.377 -179.541 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.479 ' O ' HD12 ' A' ' 56' ' ' LEU . 15.8 mm-40 -131.86 156.95 79.47 Favored Pre-proline 0 C--N 1.319 -0.722 0 N-CA-C 109.151 -0.685 . . . . 10.0 109.151 179.285 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.97 -36.93 93.62 Favored 'Trans proline' 0 CA--C 1.528 0.214 0 C-N-CA 122.081 1.854 . . . . 10.0 112.615 -179.768 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.04 15.9 4.67 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.234 0.457 . . . . 10.0 112.234 -179.117 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -81.7 146.56 29.95 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.196 -0.298 . . . . 10.0 110.196 179.597 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.42 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -89.95 144.81 25.6 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.809 -179.506 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.402 HG12 ' O ' ' A' ' 54' ' ' ARG . 44.8 mm -57.7 -40.0 73.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.871 0.367 . . . . 10.0 110.8 179.715 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -62.1 -36.31 81.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.269 179.187 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -69.32 -36.96 77.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.723 179.5 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 22' ' ' THR . 95.5 t -64.72 -38.53 82.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.527 -0.76 . . . . 10.0 109.827 178.917 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.411 ' HD2' ' OD2' ' A' ' 52' ' ' ASP . 86.5 mttt -59.21 -41.17 87.95 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.477 178.819 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.44 -34.01 77.21 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.326 179.362 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -68.36 -37.87 80.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.893 -0.594 . . . . 10.0 109.846 179.091 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 88.1 mt -70.43 -37.03 69.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.284 -0.635 . . . . 10.0 109.284 178.514 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.417 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 64.6 tt0 -67.04 -27.48 67.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.729 -0.669 . . . . 10.0 109.847 178.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -69.67 -40.26 76.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.051 178.86 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -78.81 -61.93 1.86 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.822 -0.626 . . . . 10.0 111.796 -179.257 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -79.34 -47.66 15.42 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -177.928 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 108.68 -9.54 34.88 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.62 -0.8 . . . . 10.0 111.814 -179.05 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.0 mt -68.63 123.98 89.03 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.761 -0.219 . . . . 10.0 111.022 -179.746 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 50.9 Cg_exo -55.7 147.78 58.45 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 123.097 2.531 . . . . 10.0 112.958 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 39.6 Cg_exo -60.05 -21.4 65.16 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.093 2.529 . . . . 10.0 112.861 -179.608 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.61 -25.68 64.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.06 -179.66 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -103.1 6.76 38.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.67 -179.266 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -99.86 118.65 36.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.81 -179.198 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -122.25 97.71 5.6 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 177.914 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.1 mt -85.39 132.73 34.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.009 -0.541 . . . . 10.0 111.49 -179.023 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mt -129.48 135.38 61.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.973 179.719 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.401 ' HB3' HD21 ' A' ' 50' ' ' LEU . 71.9 t80 -131.37 124.82 31.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.295 -0.411 . . . . 10.0 110.375 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.14 11.94 4.71 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 123.71 0.631 . . . . 10.0 112.333 179.041 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.51 -11.42 35.96 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.796 -0.716 . . . . 10.0 112.672 179.742 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -102.73 142.99 32.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.787 0.293 . . . . 10.0 110.582 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -82.26 137.22 34.92 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.411 -0.588 . . . . 10.0 109.411 179.127 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.401 HD21 ' HB3' ' A' ' 45' ' ' PHE . 20.7 mt -85.82 138.12 32.29 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.818 -179.362 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -92.46 135.24 34.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.05 -0.523 . . . . 10.0 109.895 178.796 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.411 ' OD2' ' HD2' ' A' ' 27' ' ' LYS . 1.9 m-20 -53.7 -36.51 62.3 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.822 0.675 . . . . 10.0 112.822 -178.913 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.38 25.62 7.91 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.588 -0.815 . . . . 10.0 113.994 -178.575 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.402 ' O ' HG12 ' A' ' 23' ' ' ILE . 73.2 mmt-85 -124.49 163.91 20.85 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 117.397 0.598 . . . . 10.0 110.671 179.826 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.3 p -104.16 170.4 7.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.526 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 18' ' ' GLU . 91.2 mt -67.26 -30.23 70.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.984 0.421 . . . . 10.0 110.361 179.26 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -23.79 64.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.206 179.523 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -68.68 -23.84 64.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.216 0.531 . . . . 10.0 110.704 -179.7 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -111.03 5.64 20.39 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.39 179.1 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 55.08 43.24 29.95 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 114.764 -1.107 . . . . 10.0 111.308 -179.85 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 68.4 mt -82.94 117.21 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.866 -0.606 . . . . 10.0 109.976 179.69 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -96.02 -175.91 3.53 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.283 179.738 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -71.6 156.54 39.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.8 0.333 . . . . 10.0 111.133 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 63.98 22.98 13.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.575 -0.739 . . . . 10.0 112.201 179.083 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.3 m -93.96 143.85 25.98 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.557 -0.535 . . . . 10.0 109.557 178.647 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.516 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 30.1 m -98.07 126.03 43.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.001 0.429 . . . . 10.0 111.528 -179.345 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -106.87 142.27 36.77 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.801 -0.814 . . . . 10.0 108.801 179.052 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -97.53 128.95 44.69 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.646 0.26 . . . . 10.0 110.357 -179.57 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.5 tp -111.67 108.87 18.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.007 0.432 . . . . 10.0 110.929 179.801 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.6 t -98.14 130.15 47.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.903 -0.589 . . . . 10.0 109.496 178.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.7 mt -88.67 125.97 35.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.492 -179.737 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -94.75 124.97 39.11 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.581 -179.847 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.3 mt -110.16 163.54 13.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.439 -0.346 . . . . 10.0 110.384 179.922 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -97.22 137.45 36.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.232 -0.44 . . . . 10.0 109.931 179.821 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.71 63.14 4.42 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 121.065 -0.588 . . . . 10.0 112.298 -179.698 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.976 0 N-CA-C 110.774 -0.931 . . . . 10.0 110.774 179.501 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.485 1.28 0 CA-C-O 120.807 0.337 . . . . 10.0 110.256 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 -100.46 135.52 41.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.181 0.515 . . . . 10.0 111.595 -179.231 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 24.9 pt -120.86 163.26 18.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.432 -0.804 . . . . 10.0 109.672 178.687 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.502 ' O ' ' HA ' ' B' ' 66' ' ' THR . 72.7 m-85 -116.65 116.46 27.59 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.773 0.32 . . . . 10.0 111.034 -179.506 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 67.2 t -101.82 114.04 39.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.511 -0.551 . . . . 10.0 109.511 179.145 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -97.56 125.45 42.28 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.389 -0.369 . . . . 10.0 110.481 -179.041 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 19.3 p -101.12 163.69 12.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.799 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.458 HD11 HG21 ' D' ' 490' ' ' THR . 86.6 mt -66.26 -19.58 65.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.311 179.567 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.67 2.31 26.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.024 179.666 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.67 24.62 64.57 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 121.091 -0.576 . . . . 10.0 112.416 179.651 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -108.16 121.01 43.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.798 0.333 . . . . 10.0 110.346 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -100.37 107.43 19.19 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.17 -0.468 . . . . 10.0 109.925 179.449 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 7.3 mt -97.79 136.25 29.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.019 -178.665 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.63 144.41 27.32 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.524 -0.547 . . . . 10.0 109.524 178.946 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 60.2 mt -140.34 144.24 36.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.738 0.304 . . . . 10.0 111.586 -179.306 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -94.93 99.5 11.52 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.977 -0.749 . . . . 10.0 108.977 178.567 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 17.0 m -121.09 164.35 17.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.764 -179.122 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.408 ' O ' HD12 ' B' ' 56' ' ' LEU . 23.1 mm-40 -116.89 156.96 47.49 Favored Pre-proline 0 C--N 1.316 -0.867 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.135 -179.668 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.55 -27.01 81.03 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.301 2.001 . . . . 10.0 111.906 179.382 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.29 5.88 50.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.729 -0.669 . . . . 10.0 111.606 -179.612 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -78.54 144.22 35.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.968 0.413 . . . . 10.0 110.426 -179.666 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.417 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.2 OUTLIER -92.98 146.95 23.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.761 -179.128 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 46.7 mm -55.34 -37.49 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.413 -179.442 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -58.28 -43.5 88.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.711 179.43 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -69.58 -35.83 75.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.747 -179.821 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 22' ' ' THR . 81.1 t -61.38 -43.65 97.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.275 179.636 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -64.45 -32.75 74.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.822 179.7 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.18 -33.73 76.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 10.0 110.135 179.152 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -67.48 -34.75 77.79 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.288 179.292 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 59.5 mt -72.14 -33.13 45.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.558 178.891 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -68.3 -32.35 72.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.424 -0.807 . . . . 10.0 110.208 179.262 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -72.1 -36.45 69.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.92 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -80.39 -59.83 2.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.165 -0.471 . . . . 10.0 112.219 -179.146 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -86.59 -47.14 9.46 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.387 0.514 . . . . 10.0 112.387 -178.067 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.09 21.73 7.58 Favored Glycine 0 C--O 1.228 -0.237 0 C-N-CA 120.285 -0.959 . . . . 10.0 112.769 -179.743 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 57.8 mt -94.67 124.9 53.46 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.973 -0.38 . . . . 10.0 109.973 179.692 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.467 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 52.0 Cg_exo -54.28 131.59 45.92 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.547 2.165 . . . . 10.0 112.251 179.904 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 53.0 Cg_exo -55.81 -21.2 31.82 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.34 2.693 . . . . 10.0 113.175 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -71.37 -32.73 68.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.089 0.471 . . . . 10.0 110.243 179.547 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -89.66 -11.21 43.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.666 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -80.32 97.68 7.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.774 179.795 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.542 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 41.3 mtp180 -97.41 90.56 5.11 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 179.155 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 25.6 mt -76.76 130.27 37.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.652 -0.703 . . . . 10.0 111.653 -179.361 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mp -124.12 142.45 40.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.088 179.625 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -134.66 111.24 9.84 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.355 -0.609 . . . . 10.0 109.355 178.653 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.13 17.82 11.2 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.718 -0.674 . . . . 10.0 111.8 179.767 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.59 -3.99 42.96 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.675 -0.774 . . . . 10.0 112.795 179.603 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -110.6 140.49 44.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.584 0.192 . . . . 10.0 110.534 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.02 139.49 40.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.945 0.402 . . . . 10.0 110.517 179.513 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 62.1 mt -84.4 127.34 33.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.391 179.757 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.545 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 34.2 mt-10 -80.41 149.55 30.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.838 0.351 . . . . 10.0 110.299 179.439 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.67 -28.74 65.01 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.919 -0.582 . . . . 10.0 112.113 -178.198 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -94.02 31.21 6.78 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.935 -0.65 . . . . 10.0 113.417 -178.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.545 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 16.7 mmt180 -130.55 160.55 33.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 117.066 0.433 . . . . 10.0 109.984 179.565 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.484 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 56.7 p -105.04 171.11 7.49 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.096 -0.335 . . . . 10.0 110.096 179.348 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.408 HD12 ' O ' ' B' ' 18' ' ' GLU . 40.3 mt -64.28 -35.57 81.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.857 0.36 . . . . 10.0 111.167 -179.653 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 16.8 m -65.26 -22.83 66.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.098 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.484 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.8 m-20 -65.63 -30.28 70.98 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.196 -0.457 . . . . 10.0 111.295 -179.424 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -106.19 17.5 23.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.908 -178.549 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 64.01 22.57 12.99 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 120.712 0.291 . . . . 10.0 111.646 179.298 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 76.1 mt -77.28 128.14 38.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.885 0.374 . . . . 10.0 110.667 -179.559 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -128.2 -161.9 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.07 -0.513 . . . . 10.0 110.17 -179.429 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -69.49 148.57 49.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.642 0.258 . . . . 10.0 111.08 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 66.2 9.06 6.02 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.529 -0.759 . . . . 10.0 112.553 178.743 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 55.0 m -77.11 134.92 38.58 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.159 -0.311 . . . . 10.0 110.159 179.511 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.502 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 17.3 m -93.47 131.47 38.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.131 -179.816 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.8 mp -110.49 144.86 38.67 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.717 -0.674 . . . . 10.0 109.906 179.839 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.575 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 26.4 m80 -96.23 135.85 37.49 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.111 -0.495 . . . . 10.0 109.699 179.718 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 51.9 tp -126.14 112.45 15.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.289 0.566 . . . . 10.0 111.454 -179.614 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.542 ' HB ' ' HB2' ' B' ' 42' ' ' ARG . 23.0 t -83.64 122.09 37.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.575 -0.739 . . . . 10.0 109.858 179.119 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 10.5 mt -86.64 109.42 19.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.181 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.67 145.66 33.08 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.911 0.386 . . . . 10.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.512 HD11 HG12 ' D' ' 488' ' ' ILE . 0.5 OUTLIER -124.57 171.57 9.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.07 -0.513 . . . . 10.0 109.763 179.424 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -151.84 -52.68 0.12 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.85 0.357 . . . . 10.0 110.593 179.504 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.62 35.18 23.25 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.697 -0.763 . . . . 10.0 111.994 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.87 -0.961 . . . . 10.0 111.078 -179.957 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 N--CA 1.476 0.86 0 N-CA-C 111.179 0.066 . . . . 10.0 111.179 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 1.7 m120 58.79 26.05 14.25 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.103 0.252 . . . . 10.0 110.901 -179.47 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.07 -50.95 65.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.064 -0.516 . . . . 10.0 112.154 -178.564 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 42.7 mm-40 -89.18 -32.28 17.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.914 0.388 . . . . 10.0 110.747 -179.879 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 457' ' ' LEU . . . . . 0.405 HD13 ' HG2' ' D' ' 481' ' ' GLN . 64.6 mt -60.67 -48.6 81.05 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.822 -0.626 . . . . 10.0 111.17 -179.727 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -65.4 -36.83 85.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.612 -0.267 . . . . 10.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -66.62 -46.33 76.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.011 -179.87 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 74.0 mtm -64.41 -42.07 96.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.521 179.788 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -69.14 -30.95 69.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.237 -179.77 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -57.12 -44.98 83.8 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.553 -0.294 . . . . 10.0 111.322 -179.838 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 463' ' ' GLN . . . . . 0.439 ' NE2' ' HA ' ' D' ' 463' ' ' GLN . 4.6 tp60 -64.5 -34.54 78.45 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.739 -0.384 . . . . 10.0 110.872 -179.299 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 71.8 mt -69.41 -38.8 77.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.57 -0.53 . . . . 10.0 109.57 178.896 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -62.06 -35.7 79.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.283 -0.871 . . . . 10.0 111.007 179.697 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -72.12 -22.03 61.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.764 179.651 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 467' ' ' MET . . . . . 0.575 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 6.0 mtm -91.2 -26.66 18.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.16 -179.261 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 468' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -121.56 82.44 40.48 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 110.107 -0.331 . . . . 10.0 110.107 179.376 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -76.07 35.77 0.46 Allowed 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.939 2.426 . . . . 10.0 112.968 -179.075 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -150.5 13.21 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 10.0 111.177 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 471' ' ' VAL . . . . . . . . . . . . . 8.3 p -118.29 132.8 23.61 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.584 -0.28 . . . . 10.0 110.577 -179.754 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 472' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -58.87 126.71 21.92 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.44 2.093 . . . . 10.0 112.095 178.455 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -56.77 -37.23 70.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.687 -0.688 . . . . 10.0 112.166 -178.772 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 19.3 p-80 -65.96 -26.44 67.57 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.987 -0.285 . . . . 10.0 111.432 -179.411 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 475' ' ' LEU . . . . . 0.429 ' O ' ' HB3' ' D' ' 478' ' ' GLN . 25.7 mt -77.18 -32.01 55.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.365 . . . . 10.0 110.187 179.436 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 23.2 t -69.17 -41.1 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.556 179.288 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.98 -26.43 68.57 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.476 -0.784 . . . . 10.0 110.571 179.21 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 478' ' ' GLN . . . . . 0.429 ' HB3' ' O ' ' D' ' 475' ' ' LEU . 2.8 tt0 -64.17 -53.11 54.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.585 179.668 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 479' ' ' ASP . . . . . 0.402 ' HB3' HG23 ' D' ' 489' ' ' THR . 11.5 t70 -69.92 -34.75 73.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.255 -0.429 . . . . 10.0 110.793 -179.166 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.67 -32.32 67.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.48 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 481' ' ' GLN . . . . . 0.405 ' HG2' HD13 ' D' ' 457' ' ' LEU . 45.7 mt-30 -88.04 -7.42 57.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.748 0.309 . . . . 10.0 111.239 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -100.07 -48.36 4.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.574 -0.285 . . . . 10.0 111.028 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 40.5 p -95.36 -35.43 11.77 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.449 -0.342 . . . . 10.0 111.307 -179.325 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.24 27.88 15.65 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.65 -0.705 . . . . 10.0 111.382 179.904 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 4.4 t -142.9 118.66 10.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.732 -0.667 . . . . 10.0 109.85 -179.847 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 33.1 m -59.83 -31.27 47.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.986 -179.41 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -63.89 -47.67 79.72 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.787 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 488' ' ' ILE . . . . . 0.512 HG12 HD11 ' B' ' 73' ' ' LEU . 53.9 mt -73.25 -39.2 55.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.901 -179.809 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 489' ' ' THR . . . . . 0.416 ' O ' HG13 ' D' ' 493' ' ' ILE . 95.5 m -60.94 -47.57 85.8 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.048 0.388 . . . . 10.0 112.048 -179.216 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 490' ' ' THR . . . . . 0.458 HG21 HD11 ' B' ' 8' ' ' LEU . 4.5 p -64.12 -42.42 96.85 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.791 -0.364 . . . . 10.0 110.856 -179.601 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -65.51 -34.61 78.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.136 -0.484 . . . . 10.0 109.932 179.154 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 492' ' ' ASN . . . . . 0.422 ' HB3' ' HB3' ' D' ' 497' ' ' ARG . 35.4 m-20 -62.1 -37.8 86.44 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 115.385 -0.825 . . . . 10.0 110.748 179.075 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 493' ' ' ILE . . . . . 0.455 HG12 HD12 ' D' ' 498' ' ' ILE . 71.2 mt -69.19 -39.73 79.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.34 0.59 . . . . 10.0 109.654 178.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.14 36.07 0.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.346 -0.843 . . . . 10.0 110.969 179.617 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -149.78 -65.53 0.21 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.537 179.605 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 145.17 39.47 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.744 -0.741 . . . . 10.0 113.074 179.528 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 497' ' ' ARG . . . . . 0.422 ' HB3' ' HB3' ' D' ' 492' ' ' ASN . 13.3 tpp180 -89.02 -35.55 16.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.233 0.54 . . . . 10.0 110.137 179.302 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 498' ' ' ILE . . . . . 0.455 HD12 HG12 ' D' ' 493' ' ' ILE . 52.9 mt -96.61 137.16 25.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.614 -0.721 . . . . 10.0 109.549 179.662 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -69.98 116.09 9.95 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.274 -179.738 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 36.0 m -62.85 155.19 72.55 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.217 -179.626 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -64.53 103.71 0.48 Allowed 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.622 2.215 . . . . 10.0 111.34 179.664 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -106.29 117.87 56.21 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.881 -178.877 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -65.38 110.73 1.65 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.439 2.093 . . . . 10.0 112.135 179.844 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.253 1.274 0 CA-C-O 117.655 -1.164 . . . . 10.0 109.235 -179.936 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 110.168 -0.308 . . . . 10.0 110.168 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -120.25 141.73 49.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.553 0.216 . . . . 10.0 110.933 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.1 pt -126.64 155.02 37.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.496 -0.557 . . . . 10.0 109.496 178.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.452 ' O ' ' HA ' ' A' ' 66' ' ' THR . 93.2 m-85 -115.2 122.41 45.95 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.731 0.3 . . . . 10.0 111.075 -179.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.8 t -110.05 125.1 67.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 178.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.9 tttp -111.26 130.52 55.63 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.883 0.373 . . . . 10.0 111.292 -178.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.36 173.12 8.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.627 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 mt -64.26 -24.0 67.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.221 0.534 . . . . 10.0 111.221 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.32 -3.61 46.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.96 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.93 -17.06 60.03 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.763 -0.732 . . . . 10.0 111.536 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.0 tttp -57.7 135.11 56.71 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 122.961 0.504 . . . . 10.0 110.568 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -127.41 125.92 41.5 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.711 0.291 . . . . 10.0 110.627 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.6 pt -116.21 148.18 19.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.997 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -104.28 125.56 50.64 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.422 -0.585 . . . . 10.0 109.422 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -115.76 135.06 54.39 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.953 0.406 . . . . 10.0 111.712 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -85.3 113.52 21.69 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.413 -0.812 . . . . 10.0 109.369 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.9 m -142.66 176.18 3.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.099 0.476 . . . . 10.0 111.425 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.514 ' O ' HD12 ' A' ' 56' ' ' LEU . 40.3 mm-40 -134.64 157.78 76.51 Favored Pre-proline 0 C--N 1.321 -0.669 0 N-CA-C 108.604 -0.887 . . . . 10.0 108.604 179.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -50.72 -36.33 50.87 Favored 'Trans proline' 0 CA--C 1.533 0.445 0 C-N-CA 122.324 2.016 . . . . 10.0 112.545 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.88 -6.52 47.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.75 -0.659 . . . . 10.0 112.482 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.53 139.83 45.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.788 0.328 . . . . 10.0 110.128 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.433 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -91.29 148.05 22.61 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.963 -179.388 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 51.5 mm -57.42 -38.86 65.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.989 0.423 . . . . 10.0 110.298 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 35.4 tt0 -62.87 -34.91 78.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.22 178.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.481 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 54.7 t30 -75.27 -38.94 60.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.205 -0.452 . . . . 10.0 109.793 179.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 22' ' ' THR . 96.6 t -63.18 -45.28 98.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.682 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 14.8 ptmt -66.53 -28.07 68.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.98 0.419 . . . . 10.0 110.443 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.08 -33.09 73.89 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.589 -0.523 . . . . 10.0 109.589 178.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 67.8 mttt -66.64 -41.55 88.12 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.291 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 31.2 mt -66.84 -32.16 56.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.375 0.607 . . . . 10.0 109.63 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -64.56 -34.71 78.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.321 -0.854 . . . . 10.0 110.74 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -88.74 -32.0 18.14 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.488 -0.323 . . . . 10.0 111.681 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -80.01 -47.93 14.14 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.394 0.516 . . . . 10.0 112.394 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -98.76 -21.41 16.39 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.909 0.337 . . . . 10.0 111.909 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.1 14.52 64.29 Favored Glycine 0 CA--C 1.517 0.172 0 C-N-CA 120.677 -0.773 . . . . 10.0 113.113 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.1 mt -87.79 120.9 71.05 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 122.847 -0.208 . . . . 10.0 110.772 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 32.2 Cg_exo -58.06 138.31 85.29 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.721 2.281 . . . . 10.0 112.535 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 29.8 Cg_exo -60.33 -23.16 73.67 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.898 2.398 . . . . 10.0 112.487 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -69.1 -19.53 64.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.951 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.474 ' O ' ' HA ' ' A' ' 71' ' ' LEU . 85.6 mt-30 -114.16 10.69 17.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.064 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -98.1 106.54 18.84 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.013 0.435 . . . . 10.0 111.532 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -109.53 103.74 12.67 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.8 mt -91.82 118.24 30.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.982 0.42 . . . . 10.0 111.407 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mp -115.04 133.49 61.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.339 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.501 ' HB3' HD21 ' A' ' 50' ' ' LEU . 63.8 t80 -134.88 121.46 20.62 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.581 -0.526 . . . . 10.0 109.581 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.97 33.43 19.78 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.616 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.25 -21.84 15.15 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.901 -0.666 . . . . 10.0 112.92 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -94.2 147.44 23.17 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.258 -0.275 . . . . 10.0 110.258 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -92.66 137.06 32.69 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.709 -0.478 . . . . 10.0 109.709 179.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.501 HD21 ' HB3' ' A' ' 45' ' ' PHE . 18.7 mt -88.89 144.66 26.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.479 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.419 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 40.2 mt-10 -91.22 151.76 20.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.004 -0.369 . . . . 10.0 110.004 179.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.9 -50.71 72.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.047 -0.524 . . . . 10.0 112.234 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.16 49.67 4.03 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 121.074 -0.584 . . . . 10.0 113.925 -178.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.422 ' HG3' ' OH ' ' A' ' 59' ' ' TYR . 21.9 mmt180 -138.82 156.9 46.95 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.724 -0.473 . . . . 10.0 109.724 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.526 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 45.4 p -98.06 171.73 8.07 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.919 -0.401 . . . . 10.0 109.919 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.514 HD12 ' O ' ' A' ' 18' ' ' GLU . 81.7 mt -70.05 -31.49 69.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.881 0.372 . . . . 10.0 110.35 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -21.67 60.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.367 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.526 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.7 OUTLIER -60.52 -30.91 70.04 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.947 179.693 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.466 ' CD2' HD22 ' A' ' 50' ' ' LEU . 74.8 m-85 -111.9 8.51 20.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.356 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 57.8 t30 57.81 43.14 22.25 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.406 -0.816 . . . . 10.0 111.645 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 76.4 mt -77.81 119.05 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.481 -0.563 . . . . 10.0 109.481 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -91.95 174.83 7.13 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.663 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -68.29 151.79 46.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.294 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 64.29 30.68 13.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.687 -0.688 . . . . 10.0 111.827 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.2 m -92.22 143.94 25.91 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.77 -0.456 . . . . 10.0 109.77 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 1.7 m -99.31 124.05 44.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.067 0.461 . . . . 10.0 111.482 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -110.9 142.55 42.82 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.222 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -98.66 124.82 43.71 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.765 0.317 . . . . 10.0 110.492 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.0 tp -106.13 108.78 20.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.141 0.496 . . . . 10.0 111.263 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.5 t -103.86 139.1 25.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.8 -0.637 . . . . 10.0 109.289 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.474 ' HA ' ' O ' ' A' ' 40' ' ' GLN . 55.1 mt . . . . . 0 C--N 1.324 -0.5 0 CA-C-O 121.159 0.504 . . . . 10.0 111.212 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ptt? . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 109.921 -0.4 . . . . 10.0 109.921 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -110.59 138.47 46.93 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.42 -0.512 . . . . 10.0 110.703 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 30.2 pt -121.23 168.35 13.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.903 -0.589 . . . . 10.0 109.944 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -124.89 118.63 26.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.199 0.523 . . . . 10.0 111.542 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 43.7 t -98.01 122.56 49.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.663 -0.699 . . . . 10.0 109.472 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -101.34 125.65 48.0 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.157 0.503 . . . . 10.0 111.006 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.44 157.58 16.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.508 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 47.9 mt -61.66 -18.17 58.43 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.003 0.371 . . . . 10.0 112.003 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.53 -4.42 59.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.814 0.34 . . . . 10.0 111.5 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.56 10.02 59.56 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.972 -0.632 . . . . 10.0 112.027 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 24.3 tttp -83.42 139.5 32.93 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.359 -0.237 . . . . 10.0 110.359 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -116.37 114.32 24.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.475 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 7.9 mt -103.18 130.67 53.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.526 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.4 m -98.42 127.2 44.25 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.823 -0.436 . . . . 10.0 109.823 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 33.2 mt -126.23 134.07 51.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.811 0.339 . . . . 10.0 111.302 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -95.02 109.42 21.45 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.785 -0.82 . . . . 10.0 108.785 178.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.449 HG12 ' NZ ' ' B' ' 29' ' ' LYS . 30.4 m -136.22 -179.93 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.035 -0.53 . . . . 10.0 111.301 -178.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -127.46 155.21 77.08 Favored Pre-proline 0 C--N 1.317 -0.809 0 N-CA-C 109.01 -0.737 . . . . 10.0 109.01 178.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -56.6 -23.87 50.94 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.49 2.127 . . . . 10.0 112.566 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -85.47 6.04 28.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.036 -0.529 . . . . 10.0 112.009 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -83.19 153.22 24.86 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 120.863 0.363 . . . . 10.0 110.402 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.432 ' O ' HG23 ' B' ' 26' ' ' VAL . 4.2 p -94.86 151.71 18.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.348 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 40.8 mm -59.43 -36.64 65.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.226 0.536 . . . . 10.0 110.168 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -42.7 99.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.617 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -68.52 -38.25 80.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.841 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.433 ' O ' HG13 ' B' ' 30' ' ' ILE . 98.3 t -59.44 -44.94 93.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.888 0.375 . . . . 10.0 110.25 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -67.82 -31.16 70.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.792 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.77 -34.12 76.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.146 0.498 . . . . 10.0 109.791 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.449 ' NZ ' HG12 ' B' ' 17' ' ' VAL . 98.1 mttt -69.85 -32.27 70.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.004 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.433 HG13 ' O ' ' B' ' 26' ' ' VAL . 56.9 mt -69.51 -31.07 47.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -71.84 -24.42 61.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.916 -0.584 . . . . 10.0 109.613 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -77.65 -31.23 52.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.545 -0.752 . . . . 10.0 110.846 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 69.2 mttt -95.58 -45.13 7.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.449 -0.341 . . . . 10.0 111.804 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -96.16 -51.4 4.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.793 0.33 . . . . 10.0 111.534 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.61 -6.49 26.2 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.584 -0.817 . . . . 10.0 112.395 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 26.5 mt -63.95 128.19 92.66 Favored Pre-proline 0 C--N 1.327 -0.394 0 N-CA-C 110.689 -0.115 . . . . 10.0 110.689 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -61.59 131.38 35.49 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.5 2.133 . . . . 10.0 111.797 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.16 -22.31 55.84 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.011 2.474 . . . . 10.0 112.975 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -66.79 -33.42 75.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.3 0.571 . . . . 10.0 110.814 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -98.07 6.77 47.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.549 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -103.22 109.64 21.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.428 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -104.45 107.65 18.69 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.179 -0.674 . . . . 10.0 109.179 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.476 ' HB3' HD12 ' B' ' 50' ' ' LEU . 18.1 mt -84.79 119.85 25.77 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.078 0.466 . . . . 10.0 110.911 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -115.37 142.68 27.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.512 -0.767 . . . . 10.0 109.432 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -132.43 110.79 10.77 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.044 -0.525 . . . . 10.0 109.718 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.0 27.57 16.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.732 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.17 -12.74 62.02 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.832 -0.699 . . . . 10.0 113.38 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.5 143.32 28.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 117.011 0.406 . . . . 10.0 109.982 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.455 HE21 ' HB3' ' B' ' 49' ' ' GLN . 1.1 tt0 -86.26 135.54 33.51 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.32 -0.252 . . . . 10.0 110.32 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.476 HD12 ' HB3' ' B' ' 43' ' ' LEU . 27.3 mt -91.27 120.11 31.89 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.99 -0.374 . . . . 10.0 109.99 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.477 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 28.0 mt-10 -68.64 136.96 53.78 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 179.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -54.36 -42.44 70.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.987 -0.552 . . . . 10.0 112.041 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.05 53.89 4.24 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.817 -0.706 . . . . 10.0 113.21 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.477 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 31.2 mmt180 -141.4 174.04 10.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.778 0.289 . . . . 10.0 110.293 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 41.1 p -115.15 172.69 6.92 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.551 -0.537 . . . . 10.0 109.551 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 84.1 mt -69.8 -30.6 68.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.985 0.422 . . . . 10.0 110.477 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.51 -20.77 64.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.909 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -70.37 -32.74 70.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.765 0.317 . . . . 10.0 111.713 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -109.59 12.24 24.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.471 -0.331 . . . . 10.0 110.771 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 60.68 31.82 20.2 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.627 -0.715 . . . . 10.0 111.592 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 66.0 mt -72.15 112.98 8.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.06 0.457 . . . . 10.0 109.93 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -97.82 -167.48 1.53 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.62 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.5 155.78 33.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.814 0.34 . . . . 10.0 110.957 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 59.26 17.99 6.23 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.595 -0.729 . . . . 10.0 112.833 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 10.6 m -78.89 148.17 32.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.597 0.237 . . . . 10.0 110.467 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 18.0 m -88.68 119.13 28.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.131 0.491 . . . . 10.0 111.358 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -102.08 124.47 47.74 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.279 -0.638 . . . . 10.0 109.279 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.448 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 29.5 m80 -89.04 124.5 34.34 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.574 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 36.9 tp -100.12 107.37 19.24 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.873 0.368 . . . . 10.0 110.433 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.543 HG13 ' HB ' ' D' ' 490' ' ' THR . 70.6 t -101.13 140.45 19.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.517 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 12.2 mt -100.28 165.62 11.38 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.863 -0.421 . . . . 10.0 109.863 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.554 ' HG3' ' OD1' ' D' ' 491' ' ' ASP . 14.6 ttt180 . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 116.714 -0.221 . . . . 10.0 110.691 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 121.059 0.457 . . . . 10.0 111.124 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -69.0 -34.18 74.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.805 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 97.7 mt -63.87 -46.58 84.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.543 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -63.53 -42.78 98.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.822 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.23 -40.39 93.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.547 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 74.3 mtm -72.99 -41.17 64.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.817 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.61 -45.09 91.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.945 -0.57 . . . . 10.0 111.221 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -58.73 -36.14 73.83 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.605 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 463' ' ' GLN . . . . . 0.511 ' O ' ' HG2' ' D' ' 467' ' ' MET . 24.5 tp60 -61.59 -42.08 98.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.196 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 74.6 mt -72.44 -32.53 42.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.149 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 38.5 tp60 -61.24 -30.6 70.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.202 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -76.32 -29.68 57.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.938 -0.573 . . . . 10.0 110.287 178.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . 0.511 ' HG2' ' O ' ' D' ' 463' ' ' GLN . 31.1 mmm -76.36 -44.11 37.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.227 0.537 . . . . 10.0 110.202 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 468' ' ' PHE . . . . . 0.452 ' O ' HG12 ' D' ' 471' ' ' VAL . 5.1 m-85 -116.91 92.55 39.12 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.61 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -78.26 33.48 0.47 Allowed 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.776 2.317 . . . . 10.0 112.369 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -152.71 29.95 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.951 -179.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 471' ' ' VAL . . . . . 0.452 HG12 ' O ' ' D' ' 468' ' ' PHE . 12.8 p -125.43 133.71 25.12 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.384 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 472' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' D' ' 471' ' ' VAL . 53.1 Cg_exo -58.3 119.36 6.57 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.635 2.223 . . . . 10.0 112.237 179.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -53.05 -40.41 63.96 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.449 -0.796 . . . . 10.0 112.681 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 44.9 p-80 -68.62 -27.56 66.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.587 0.232 . . . . 10.0 111.601 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 475' ' ' LEU . . . . . 0.441 ' O ' ' HB3' ' D' ' 478' ' ' GLN . 24.1 mt -77.67 -30.52 52.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.896 0.379 . . . . 10.0 110.0 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 476' ' ' VAL . . . . . 0.412 HG23 ' O ' ' D' ' 472' ' ' PRO . 44.9 t -66.99 -46.75 84.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.461 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . 0.415 ' O ' ' HG3' ' D' ' 481' ' ' GLN . 23.8 mt -63.67 -24.62 67.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.792 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 478' ' ' GLN . . . . . 0.441 ' HB3' ' O ' ' D' ' 475' ' ' LEU . 1.9 tt0 -66.44 -55.74 14.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.985 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -67.17 -29.47 69.17 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.537 -0.302 . . . . 10.0 110.605 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 480' ' ' LEU . . . . . 0.477 ' HA ' HD13 ' D' ' 480' ' ' LEU . 0.2 OUTLIER -61.05 -24.69 66.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.299 179.702 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 481' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' D' ' 477' ' ' LEU . 72.8 mt-30 -89.64 -17.38 28.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.036 0.446 . . . . 10.0 110.533 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 482' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' D' ' 482' ' ' LEU . 3.5 mm? -92.31 -59.14 2.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.846 -0.616 . . . . 10.0 111.1 -179.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 40.8 p -82.18 -42.93 18.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.732 0.301 . . . . 10.0 110.781 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 15.4 mtt180 63.25 28.32 15.75 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.615 -0.72 . . . . 10.0 110.509 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.44 116.16 6.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.434 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 28.1 m -59.26 -23.51 25.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.641 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -69.1 -23.73 64.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.045 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 9.2 mt -108.48 -33.04 2.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.039 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 489' ' ' THR . . . . . 0.476 HG21 HD22 ' D' ' 480' ' ' LEU . 41.8 m -59.64 -57.81 11.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.494 -0.321 . . . . 10.0 111.509 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 490' ' ' THR . . . . . 0.543 ' HB ' HG13 ' B' ' 70' ' ' VAL . 0.2 OUTLIER -61.21 -29.38 69.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.11 0.481 . . . . 10.0 110.729 -179.828 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 491' ' ' ASP . . . . . 0.554 ' OD1' ' HG3' ' B' ' 72' ' ' ARG . 21.2 t0 -68.77 -49.09 61.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.526 -0.761 . . . . 10.0 109.572 178.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -54.21 -36.67 63.73 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.575 -0.739 . . . . 10.0 111.135 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 67.7 mt -65.92 -46.36 88.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.444 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.22 -36.09 83.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.36 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 495' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' D' ' 491' ' ' ASP . 18.9 mm-40 -67.14 -43.04 83.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.937 0.399 . . . . 10.0 110.817 179.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 124.77 25.14 1.6 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.841 -0.695 . . . . 10.0 112.8 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -82.69 -22.94 34.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.147 0.499 . . . . 10.0 110.09 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 1.5 mp -101.87 142.22 16.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.523 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 . . . . . 0 C--N 1.326 -0.421 0 CA-C-O 120.948 0.404 . . . . 10.0 111.153 -179.729 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.479 0.983 0 N-CA-C 110.01 -0.367 . . . . 10.0 110.01 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -115.45 137.72 51.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.876 0.369 . . . . 10.0 111.343 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.9 pt -124.8 161.07 29.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.958 -0.564 . . . . 10.0 109.826 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -113.88 117.24 30.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.807 0.337 . . . . 10.0 110.658 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 42.1 t -102.41 119.47 50.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.349 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -100.47 131.02 46.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.946 0.403 . . . . 10.0 110.584 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.4 p -99.86 167.47 10.5 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.412 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.83 -16.6 63.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.882 0.373 . . . . 10.0 111.349 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.27 -16.88 38.65 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.134 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.05 -0.82 41.09 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.088 -0.577 . . . . 10.0 112.71 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -79.54 135.29 36.58 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.361 0.264 . . . . 10.0 110.455 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -107.67 123.26 48.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.43 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.1 mt -108.82 137.62 39.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.333 -178.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.43 130.85 47.74 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.704 178.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.0 mt -128.52 138.94 52.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.282 0.563 . . . . 10.0 112.082 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -89.37 100.73 13.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.065 -0.971 . . . . 10.0 108.988 178.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.0 m -132.02 176.5 8.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.02 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.571 ' O ' HD12 ' A' ' 56' ' ' LEU . 7.8 mm-40 -134.52 156.97 78.34 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 108.676 -0.861 . . . . 10.0 108.676 179.144 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.48 -35.86 77.71 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.621 2.214 . . . . 10.0 113.19 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.23 5.47 34.14 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.421 0.526 . . . . 10.0 112.421 -179.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -74.8 141.58 44.32 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 110.016 -0.364 . . . . 10.0 110.016 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.418 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -78.47 142.6 37.37 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.122 -179.362 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.1 mm -56.51 -42.3 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.771 0.319 . . . . 10.0 110.854 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -60.07 -40.59 90.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.438 . . . . 10.0 110.604 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.55 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 65.0 t30 -64.11 -39.28 93.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.907 -0.588 . . . . 10.0 109.848 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 22' ' ' THR . 76.0 t -62.4 -41.97 93.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.018 -0.537 . . . . 10.0 109.661 178.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -61.42 -38.25 86.45 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.034 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.38 -32.62 74.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.627 -0.715 . . . . 10.0 110.694 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.55 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 51.2 mttt -71.18 -34.7 71.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 10.0 109.956 179.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 93.2 mt -66.14 -43.85 91.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.749 179.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -66.18 -30.0 70.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.312 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -67.7 -39.14 84.42 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -86.75 -45.63 10.75 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.0 0.37 . . . . 10.0 112.0 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -87.48 -62.89 1.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.763 0.316 . . . . 10.0 111.638 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.15 -19.76 5.7 Favored Glycine 0 C--O 1.23 -0.117 0 C-N-CA 120.897 -0.668 . . . . 10.0 112.116 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.3 mt -64.78 124.69 87.1 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.751 -0.224 . . . . 10.0 110.591 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.454 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 37.3 Cg_exo -56.79 146.11 79.65 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.795 2.33 . . . . 10.0 112.255 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 31.5 Cg_exo -59.04 -20.74 55.26 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.685 2.257 . . . . 10.0 112.298 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.52 -35.23 79.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.027 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -98.73 7.42 46.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.819 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -96.27 102.52 14.32 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.219 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -103.86 100.7 10.49 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.82 -0.437 . . . . 10.0 109.82 178.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.5 mt -88.49 117.28 27.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.887 -0.597 . . . . 10.0 111.001 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mp -116.09 130.5 70.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.509 -0.769 . . . . 10.0 109.6 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -118.79 107.68 13.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.527 -0.306 . . . . 10.0 110.244 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.15 27.18 16.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.653 -0.703 . . . . 10.0 111.537 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.76 -26.85 21.98 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.927 -0.654 . . . . 10.0 112.612 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -86.47 128.79 35.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.543 0.211 . . . . 10.0 110.534 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -77.99 136.87 38.04 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.748 -0.464 . . . . 10.0 109.748 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.4 mt -88.37 130.48 35.14 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.979 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.514 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 83.9 mt-10 -88.87 136.58 32.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.719 179.02 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -60.96 -25.25 66.7 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.118 -0.492 . . . . 10.0 112.271 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.51 14.83 49.37 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.86 -0.686 . . . . 10.0 113.365 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.514 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 14.5 mmt180 -123.36 177.33 5.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.191 0.495 . . . . 10.0 110.334 179.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.467 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 13.4 p -116.08 173.62 6.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.342 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 18' ' ' GLU . 95.9 mt -65.59 -36.44 83.76 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.859 0.361 . . . . 10.0 111.033 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.7 p -65.66 -25.65 67.44 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.932 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.467 ' HB2' ' O ' ' A' ' 55' ' ' THR . 3.4 m-20 -61.74 -30.3 70.68 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.268 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -110.65 14.24 22.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.367 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 60.95 28.96 18.71 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.686 -0.688 . . . . 10.0 111.73 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 77.5 mt -76.8 114.35 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.022 0.439 . . . . 10.0 110.237 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -108.79 -160.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.557 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -77.11 154.75 32.95 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.608 0.242 . . . . 10.0 110.363 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 67.0 15.59 10.18 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.826 -0.624 . . . . 10.0 112.01 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.8 m -81.73 150.63 27.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.576 0.227 . . . . 10.0 110.433 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 35.7 m -105.15 120.18 40.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.155 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.7 mp -106.83 129.17 54.72 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.388 -0.597 . . . . 10.0 109.388 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -94.13 123.8 37.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.689 0.28 . . . . 10.0 110.457 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.5 tp -105.9 109.54 21.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.236 0.541 . . . . 10.0 111.17 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 68.8 t -100.26 138.73 23.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.621 -0.718 . . . . 10.0 109.731 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 67.9 mt . . . . . 0 C--N 1.324 -0.533 0 CA-C-O 120.979 0.419 . . . . 10.0 110.891 -179.529 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.487 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 25.6 ptt? . . . . . 0 N--CA 1.479 0.979 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -97.76 129.91 44.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.899 0.381 . . . . 10.0 111.414 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 20.4 pt -127.74 161.92 34.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.966 -0.561 . . . . 10.0 109.702 178.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -118.83 128.87 54.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.957 0.408 . . . . 10.0 111.035 -179.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 39.9 t -110.84 125.92 68.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.178 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 27.2 mttt -98.29 135.03 40.49 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.587 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.505 HG22 HD23 ' B' ' 69' ' ' LEU . 39.1 p -105.07 170.57 7.79 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.429 -0.35 . . . . 10.0 110.262 179.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 92.5 mt -74.21 -10.93 60.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.255 -0.43 . . . . 10.0 111.742 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -93.8 -12.0 30.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.887 0.375 . . . . 10.0 111.001 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.98 -9.2 46.67 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.969 -0.634 . . . . 10.0 112.532 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -73.87 141.35 46.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.721 0.296 . . . . 10.0 110.519 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.6 m -111.86 123.28 49.9 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.1 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 24.3 mt -100.07 135.01 37.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.557 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p -99.45 125.46 45.18 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.945 -0.391 . . . . 10.0 109.945 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 74.7 mt -126.31 134.34 51.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.104 0.478 . . . . 10.0 111.08 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -107.38 89.04 2.88 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.628 -0.715 . . . . 10.0 109.218 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.487 ' O ' ' HG2' ' B' ' 1' ' ' MET . 10.7 m -123.19 164.77 20.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.65 -178.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -106.14 155.89 37.74 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.178 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.44 -28.87 46.29 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 122.798 2.332 . . . . 10.0 113.298 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.74 -4.7 47.63 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.463 0.542 . . . . 10.0 112.463 -179.001 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -72.04 150.35 44.06 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.245 0.545 . . . . 10.0 111.064 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.436 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.2 OUTLIER -96.2 147.85 23.33 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.727 -0.669 . . . . 10.0 110.625 -179.477 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.459 HG12 ' O ' ' B' ' 54' ' ' ARG . 51.9 mm -55.56 -45.25 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 116.603 -0.271 . . . . 10.0 111.501 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -59.31 -42.87 92.36 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.896 0.379 . . . . 10.0 110.656 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.449 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 61.8 t30 -63.86 -37.52 87.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.282 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.436 HG23 ' O ' ' B' ' 22' ' ' THR . 83.1 t -64.3 -44.72 97.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.199 179.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt -62.66 -37.16 85.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.578 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.43 -37.2 80.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.596 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 36.0 mttt -69.38 -38.03 77.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.11 179.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 78.0 mt -66.16 -34.76 72.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 109.3 -0.629 . . . . 10.0 109.3 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.4 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 37.2 tt0 -66.73 -31.05 71.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.285 -0.87 . . . . 10.0 109.826 178.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -76.31 -30.33 57.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.844 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -84.28 -67.03 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.879 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -77.32 -37.11 53.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.425 . . . . 10.0 112.1 -178.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 95.26 36.08 5.54 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.43 -0.891 . . . . 10.0 111.738 -178.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 53.1 mt -111.21 120.23 43.58 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 110.059 -0.349 . . . . 10.0 110.059 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 51.3 Cg_exo -53.54 140.54 64.67 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.828 2.352 . . . . 10.0 112.358 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 51.5 Cg_exo -55.61 -21.57 31.88 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 123.13 2.553 . . . . 10.0 113.163 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.35 -36.9 79.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.656 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -90.76 1.06 57.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.989 -178.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -95.21 110.67 22.61 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.363 -0.381 . . . . 10.0 110.786 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.438 HH12 ' HG2' ' D' ' 495' ' ' GLU . 0.0 OUTLIER -116.45 91.07 3.48 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 178.826 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 21.1 mt -78.63 127.85 32.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.952 -0.567 . . . . 10.0 111.52 -178.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mp -122.7 139.28 50.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.475 -0.784 . . . . 10.0 110.013 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.464 ' HB3' HD21 ' B' ' 50' ' ' LEU . 51.8 t80 -134.54 122.3 22.2 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 178.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.21 20.88 12.54 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.482 0.489 . . . . 10.0 111.544 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.3 2.25 64.02 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.846 -0.692 . . . . 10.0 113.07 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -118.85 145.8 45.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.146 0.473 . . . . 10.0 110.503 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.88 143.4 39.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.997 0.427 . . . . 10.0 111.28 -179.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.464 HD21 ' HB3' ' B' ' 45' ' ' PHE . 46.6 mt -93.36 119.21 32.21 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.396 -0.82 . . . . 10.0 109.202 178.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.528 ' HB2' ' HG2' ' B' ' 54' ' ' ARG . 2.2 mt-10 -74.34 135.68 42.5 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.792 -0.447 . . . . 10.0 109.792 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.36 -38.97 60.13 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.245 0.832 . . . . 10.0 113.245 -178.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.15 22.07 7.49 Favored Glycine 0 CA--C 1.521 0.41 0 C-N-CA 120.879 -0.677 . . . . 10.0 114.652 -178.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.528 ' HG2' ' HB2' ' B' ' 51' ' ' GLU . 23.2 mmt180 -117.02 167.22 11.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 117.832 0.816 . . . . 10.0 110.372 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.56 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 32.0 p -107.02 173.77 6.18 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.051 179.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 79.3 mt -67.39 -35.68 79.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.129 0.49 . . . . 10.0 110.33 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 13.7 m -70.56 -19.63 62.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.689 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.56 ' HB2' ' O ' ' B' ' 55' ' ' THR . 0.6 OUTLIER -61.52 -31.57 71.58 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.573 179.725 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -110.05 11.76 23.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.404 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 58.23 39.11 26.11 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.371 -0.831 . . . . 10.0 111.622 179.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 70.9 mt -77.47 127.19 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.582 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -108.09 -174.21 2.47 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.719 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -74.49 155.11 38.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.747 0.308 . . . . 10.0 110.77 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 64.72 16.32 10.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.427 -0.806 . . . . 10.0 112.149 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 23.5 m -81.68 153.24 26.71 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.104 -0.332 . . . . 10.0 110.104 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.8 m -102.04 123.21 45.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.787 0.327 . . . . 10.0 111.251 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 mp -109.61 137.22 47.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.079 -0.51 . . . . 10.0 109.655 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.54 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 51.4 m80 -95.72 125.5 40.34 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.793 0.33 . . . . 10.0 110.992 -179.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.505 HD23 HG22 ' B' ' 7' ' ' THR . 68.3 tp -107.35 103.59 12.99 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.878 0.371 . . . . 10.0 110.205 179.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 28.3 t -93.63 136.16 26.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.064 -0.517 . . . . 10.0 110.207 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.456 ' O ' ' HB2' ' D' ' 491' ' ' ASP . 75.2 mt -93.78 146.81 23.6 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 179.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.525 ' HG3' ' OD2' ' D' ' 491' ' ' ASP . 48.6 ttt-85 . . . . . 0 C--N 1.322 -0.599 0 CA-C-O 120.969 0.414 . . . . 10.0 110.539 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 120.9 0.381 . . . . 10.0 110.457 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -65.01 -36.82 85.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.372 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 51.7 mt -69.19 -43.38 74.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.961 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -65.21 -41.85 94.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.417 . . . . 10.0 110.528 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -65.14 -40.79 94.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.565 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 3.4 mtm -64.33 -43.35 94.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.755 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -59.35 -36.95 76.67 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.222 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -59.57 -36.68 76.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.698 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 463' ' ' GLN . . . . . 0.513 ' O ' ' HG2' ' D' ' 467' ' ' MET . 30.2 tp60 -64.69 -39.3 93.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.385 -0.37 . . . . 10.0 110.096 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 55.5 mt -66.25 -37.92 80.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.453 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -61.82 -26.89 68.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.628 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -83.72 -14.42 51.68 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.981 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . 0.54 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 74.4 mmm -96.59 -42.0 8.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.351 0.596 . . . . 10.0 109.924 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 468' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -122.99 91.32 49.93 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.843 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -81.35 30.69 0.52 Allowed 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.799 2.333 . . . . 10.0 111.735 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -133.57 14.12 4.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.168 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 471' ' ' VAL . . . . . . . . . . . . . 7.9 p -123.83 129.29 24.85 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.176 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 472' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -57.15 126.9 23.62 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.639 2.226 . . . . 10.0 112.09 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -55.29 -36.89 66.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.546 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -66.44 -22.14 66.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.487 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 21.3 mt -86.38 -30.37 22.19 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 45.8 t -68.42 -47.28 78.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.464 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' D' ' 481' ' ' GLN . 78.3 mt -60.77 -26.97 67.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.641 -0.709 . . . . 10.0 110.939 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -63.43 -57.9 8.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.476 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -70.41 -29.39 66.0 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.654 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -26.02 66.27 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.839 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 481' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' D' ' 477' ' ' LEU . 77.5 mt-30 -85.29 -17.35 37.16 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.792 0.329 . . . . 10.0 110.586 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -94.31 -61.18 1.57 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.06 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 5.2 p -76.94 -39.33 51.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.46 -0.336 . . . . 10.0 111.024 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 57.14 38.1 28.83 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.779 -0.646 . . . . 10.0 111.404 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 4.0 t -158.63 109.16 2.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.063 -0.517 . . . . 10.0 109.759 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 10.0 m -53.25 -31.4 18.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 111.831 0.308 . . . . 10.0 111.831 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -63.65 -26.32 68.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.428 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 21.6 mt -104.85 -34.67 3.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.061 0.458 . . . . 10.0 110.455 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 489' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' D' ' 492' ' ' ASN . 15.9 m -65.77 -50.44 64.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.569 -0.741 . . . . 10.0 112.167 -178.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 2.1 m -61.73 -38.69 88.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.049 0.452 . . . . 10.0 110.577 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 491' ' ' ASP . . . . . 0.525 ' OD2' ' HG3' ' B' ' 72' ' ' ARG . 35.0 t70 -72.39 -29.09 63.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.194 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 492' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' D' ' 489' ' ' THR . 4.5 m-20 -56.84 -27.91 60.87 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.846 178.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 10.9 mt -81.99 -25.51 9.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.239 0.542 . . . . 10.0 110.331 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 19.7 mt -89.56 -1.58 58.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.108 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 495' ' ' GLU . . . . . 0.438 ' HG2' HH12 ' B' ' 42' ' ' ARG . 15.8 mm-40 -121.36 -156.29 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.248 -0.887 . . . . 10.0 109.265 179.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 496' ' ' GLY . . . . . 0.424 ' H ' ' HB3' ' D' ' 495' ' ' GLU . . . -104.83 94.23 1.0 Allowed Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.253 -0.975 . . . . 10.0 111.864 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 2.1 tpp85 -148.2 -66.06 0.25 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.728 0.299 . . . . 10.0 110.844 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 2.6 mt -97.77 139.71 19.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.697 -0.483 . . . . 10.0 109.697 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 . . . . . 0 C--N 1.326 -0.446 0 CA-C-O 120.797 0.332 . . . . 10.0 110.887 -179.925 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.478 ' HB2' ' HB3' ' A' ' 63' ' ' LYS . 23.6 ptt? . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.698 0.285 . . . . 10.0 110.413 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -107.22 134.05 50.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.512 -0.313 . . . . 10.0 110.671 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.0 pt -119.28 156.89 21.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.067 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -116.3 117.93 31.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.932 0.396 . . . . 10.0 110.856 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.8 t -100.77 119.12 48.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.235 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 41.8 mmtt -97.68 117.58 32.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.992 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.81 161.37 19.96 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 98.1 mt -61.51 -19.75 62.43 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.921 0.391 . . . . 10.0 111.556 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.27 -10.92 58.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.108 0.48 . . . . 10.0 110.912 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.14 -10.72 55.14 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.994 -0.622 . . . . 10.0 112.075 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.86 134.03 56.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.909 0.385 . . . . 10.0 111.274 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m -111.56 111.2 22.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.729 -0.668 . . . . 10.0 110.003 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.9 mt -101.75 131.03 50.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.914 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 m -97.19 123.32 40.93 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.658 -0.497 . . . . 10.0 109.658 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.7 mt -122.58 142.88 50.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.018 0.437 . . . . 10.0 111.606 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -93.48 113.01 25.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.547 -0.751 . . . . 10.0 109.348 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.45 ' O ' ' HG2' ' A' ' 1' ' ' MET . 19.7 m -140.54 159.48 24.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.913 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -112.74 153.75 44.99 Favored Pre-proline 0 C--N 1.315 -0.931 0 N-CA-C 108.588 -0.893 . . . . 10.0 108.588 178.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.92 -28.81 50.81 Favored 'Trans proline' 0 CA--C 1.53 0.287 0 C-N-CA 122.139 1.892 . . . . 10.0 113.101 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 p -81.13 -0.13 38.78 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -78.44 145.53 35.0 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 120.86 0.362 . . . . 10.0 110.502 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.423 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -90.83 148.0 22.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.839 -179.807 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.7 mm -57.31 -36.16 51.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.971 0.415 . . . . 10.0 110.577 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -59.89 -39.27 84.77 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.386 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -73.21 -35.93 66.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.046 -0.525 . . . . 10.0 109.846 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 22' ' ' THR . 85.2 t -61.33 -44.59 98.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.956 -0.565 . . . . 10.0 109.717 178.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -65.62 -31.18 72.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.384 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.92 -36.54 82.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.211 0.529 . . . . 10.0 109.86 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.34 -33.97 76.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.013 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.5 mt -69.54 -33.77 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.784 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -68.24 -30.56 69.64 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.355 0.598 . . . . 10.0 109.814 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -75.6 -35.21 60.59 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.725 -0.67 . . . . 10.0 110.284 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -76.49 -61.26 2.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.694 -0.685 . . . . 10.0 111.77 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -85.37 -68.41 0.73 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.812 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 139.31 -18.18 3.09 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.753 -0.737 . . . . 10.0 111.642 -179.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.4 mt -61.87 125.91 86.03 Favored Pre-proline 0 C--N 1.326 -0.423 0 C-N-CA 122.167 0.187 . . . . 10.0 110.547 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.18 144.71 99.28 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.573 2.182 . . . . 10.0 112.039 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.09 -18.49 51.36 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.884 2.389 . . . . 10.0 112.916 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.17 -29.1 67.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.561 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -101.88 1.1 36.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.607 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -91.58 108.05 19.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.069 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -112.2 96.94 6.31 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.886 0.374 . . . . 10.0 110.07 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.4 mt -83.53 123.72 30.03 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.789 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 93.4 mt -119.8 127.44 75.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.216 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -118.16 108.99 15.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.442 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.61 30.54 20.17 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.725 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.71 -13.46 65.25 Favored Glycine 0 N--CA 1.455 -0.098 0 C-N-CA 120.917 -0.659 . . . . 10.0 112.658 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -94.16 119.0 32.37 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.608 -0.145 . . . . 10.0 110.608 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -75.73 124.52 27.41 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.26 -0.644 . . . . 10.0 109.26 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.4 mt -76.76 129.5 36.38 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.319 -0.401 . . . . 10.0 111.515 -178.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.476 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 24.2 mt-10 -84.78 154.12 22.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.989 -0.551 . . . . 10.0 109.718 178.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.99 -48.28 81.04 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.782 0.66 . . . . 10.0 112.782 -178.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.01 46.6 3.69 Favored Glycine 0 CA--C 1.516 0.127 0 C-N-CA 120.677 -0.773 . . . . 10.0 114.149 -178.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.476 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 20.2 mmt180 -135.6 163.12 30.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 117.031 0.415 . . . . 10.0 110.068 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.9 p -105.34 166.77 10.19 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.01 -0.367 . . . . 10.0 110.01 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.0 mt -66.21 -31.89 72.99 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.274 0.559 . . . . 10.0 110.147 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.83 -23.51 64.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.627 -0.715 . . . . 10.0 111.572 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -64.35 -30.98 72.01 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.827 0.346 . . . . 10.0 111.221 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -107.29 10.72 29.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.037 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.7 t30 63.38 30.6 15.46 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.682 -0.69 . . . . 10.0 111.691 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.8 mt -76.23 123.47 32.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.775 -0.454 . . . . 10.0 109.775 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -122.57 -167.97 1.66 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.787 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.478 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 5.6 pttt -65.63 151.77 45.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.473 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 64.49 28.79 13.45 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.579 0.55 . . . . 10.0 111.792 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.5 m -103.35 132.49 49.57 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.897 0.379 . . . . 10.0 110.445 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -98.36 134.19 41.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.862 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 mp -120.96 148.08 44.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.181 -0.463 . . . . 10.0 109.829 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -98.24 129.37 44.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.819 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.9 tp -104.23 99.69 9.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.068 -0.514 . . . . 10.0 110.027 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 42.1 t -93.75 136.69 24.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.309 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.3 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.576 179.93 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.46 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 26.9 ptt? . . . . . 0 N--CA 1.482 1.165 0 N-CA-C 109.83 -0.433 . . . . 10.0 109.83 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -90.81 133.13 35.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.995 0.426 . . . . 10.0 111.502 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 13.9 pt -125.03 162.1 27.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.648 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.413 ' O ' ' HA ' ' B' ' 66' ' ' THR . 86.3 m-85 -119.71 126.79 51.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.557 -0.292 . . . . 10.0 110.519 -179.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.414 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 42.5 t -110.08 125.95 67.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.654 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -93.73 147.71 22.79 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.848 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 35.9 p -127.97 162.09 27.6 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.826 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 61.3 mt -64.91 -21.59 66.85 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.121 0.486 . . . . 10.0 111.046 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.48 -4.57 58.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.939 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.89 11.77 83.47 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 121.087 -0.578 . . . . 10.0 112.037 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -91.64 102.86 15.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.811 0.339 . . . . 10.0 110.634 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.1 m -74.0 122.76 23.12 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.282 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.414 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 42.3 mt -100.98 137.19 29.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.278 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.44 136.01 44.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.497 -0.319 . . . . 10.0 110.291 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 42.1 mt -142.34 143.37 32.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.099 0.476 . . . . 10.0 111.254 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -104.53 103.0 12.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.391 -0.822 . . . . 10.0 108.911 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.46 ' O ' ' HG2' ' B' ' 1' ' ' MET . 26.9 m -133.68 174.78 12.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.514 -0.312 . . . . 10.0 110.363 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.49 ' O ' HD12 ' B' ' 56' ' ' LEU . 5.6 mm-40 -126.6 157.17 71.83 Favored Pre-proline 0 C--N 1.318 -0.764 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 179.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.06 -17.5 31.71 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.643 2.229 . . . . 10.0 112.993 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.96 -7.81 59.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.837 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -76.59 153.77 35.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.709 0.29 . . . . 10.0 110.592 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.44 ' O ' HG23 ' B' ' 26' ' ' VAL . 29.8 p -96.44 151.65 19.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.299 -0.41 . . . . 10.0 111.032 -178.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 38.1 mm -57.94 -41.12 79.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.041 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -62.16 -42.57 99.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.521 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.419 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 64.5 t30 -66.41 -36.08 81.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.948 0.404 . . . . 10.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 22' ' ' THR . 71.4 t -63.29 -43.77 98.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 10.0 109.722 178.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.429 ' HD2' ' HB2' ' B' ' 41' ' ' GLN . 50.6 mtmt -64.72 -30.72 71.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.445 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.49 -38.67 90.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.122 0.487 . . . . 10.0 110.044 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 18.4 mttm -64.69 -38.94 92.7 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.791 179.044 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 67.2 mt -68.29 -33.33 59.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.495 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.485 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 49.5 tt0 -65.86 -29.98 70.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.261 179.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -80.17 -43.28 21.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.526 -0.306 . . . . 10.0 110.606 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.2 mttt -71.43 -61.74 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.938 0.399 . . . . 10.0 111.903 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -79.16 -39.83 32.47 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.922 0.342 . . . . 10.0 111.922 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.485 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 96.26 16.88 36.19 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.51 -0.852 . . . . 10.0 112.283 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.9 mt -95.02 127.55 42.41 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 110.416 -0.216 . . . . 10.0 110.416 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 51.9 Cg_exo -55.33 132.91 55.07 Favored 'Trans proline' 0 CA--C 1.533 0.436 0 C-N-CA 122.6 2.2 . . . . 10.0 111.963 179.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 36.5 Cg_exo -60.06 -18.11 49.0 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.153 2.569 . . . . 10.0 112.895 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.53 -35.82 79.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.974 -0.557 . . . . 10.0 109.971 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -95.43 6.43 49.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.854 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.429 ' HB2' ' HD2' ' B' ' 27' ' ' LYS . 65.4 mt-30 -96.06 114.74 26.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.381 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.456 ' HD2' ' HD2' ' B' ' 72' ' ' ARG . 21.8 mtp180 -110.35 113.24 25.75 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.7 -0.852 . . . . 10.0 108.7 177.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 43' ' ' LEU . 16.0 mt -94.45 123.73 38.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.849 0.357 . . . . 10.0 110.851 -178.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -120.33 139.06 48.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.796 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.456 ' HB3' HD21 ' B' ' 50' ' ' LEU . 70.6 t80 -133.41 121.51 22.37 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.606 -0.725 . . . . 10.0 109.417 179.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.29 15.8 8.95 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.066 -0.515 . . . . 10.0 112.2 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.53 -0.86 46.05 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.751 -0.738 . . . . 10.0 113.362 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -118.81 152.75 35.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.93 0.365 . . . . 10.0 110.263 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.96 147.96 24.79 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.207 0.527 . . . . 10.0 112.013 -178.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.456 HD21 ' HB3' ' B' ' 45' ' ' PHE . 7.0 mt -103.05 128.73 49.8 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.018 -0.992 . . . . 10.0 108.754 178.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.5 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 48.9 mt-10 -78.19 153.94 31.55 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.723 0.297 . . . . 10.0 110.502 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.8 -47.81 84.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.736 -0.666 . . . . 10.0 111.58 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.53 48.12 3.9 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 121.047 -0.597 . . . . 10.0 113.133 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.5 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 37.6 mmt180 -136.66 161.26 36.41 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.89 -0.411 . . . . 10.0 109.89 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -105.0 159.17 16.03 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.955 -0.566 . . . . 10.0 109.721 179.165 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.49 HD12 ' O ' ' B' ' 18' ' ' GLU . 89.3 mt -63.61 -31.29 72.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.148 0.499 . . . . 10.0 110.63 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.7 p -70.07 -23.83 63.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.134 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.33 -19.66 64.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.577 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -112.58 12.64 19.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.455 -0.339 . . . . 10.0 110.379 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 57.49 34.82 25.13 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.65 -0.704 . . . . 10.0 112.099 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 66.7 mt -78.51 119.71 28.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.365 -0.379 . . . . 10.0 110.6 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -109.27 -172.71 2.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.333 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -71.94 162.71 29.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.284 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 60.08 27.1 16.5 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 123.415 0.447 . . . . 10.0 111.273 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 72.2 m -101.1 149.68 23.71 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.277 -0.419 . . . . 10.0 110.954 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 1.2 m -105.24 125.16 50.67 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.499 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -108.64 141.49 40.52 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.372 -0.973 . . . . 10.0 108.372 178.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.606 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 51.9 m80 -102.5 121.12 41.73 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 120.831 0.348 . . . . 10.0 111.275 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.5 tp -97.46 98.88 10.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.928 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.405 HG13 ' HB ' ' D' ' 490' ' ' THR . 69.8 t -93.31 130.23 42.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.394 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 79.8 mt -84.28 148.33 26.74 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.456 ' HD2' ' HD2' ' B' ' 42' ' ' ARG . 21.1 ttt180 . . . . . 0 C--N 1.322 -0.628 0 CA-C-O 120.87 0.367 . . . . 10.0 111.001 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.747 0.308 . . . . 10.0 110.961 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -69.98 -27.83 65.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.569 -0.287 . . . . 10.0 111.05 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.62 -42.58 99.67 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -71.3 -36.97 71.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.382 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -67.57 -33.78 75.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.879 -0.601 . . . . 10.0 110.777 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 61.9 mtm -79.38 -29.81 42.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.53 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -65.4 -37.51 87.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.99 0.424 . . . . 10.0 110.46 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -64.45 -27.57 69.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.375 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -64.52 -40.9 96.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.004 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 56.6 mt -72.92 -32.18 38.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.278 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -65.5 -27.06 68.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.222 0.534 . . . . 10.0 110.131 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -77.06 -12.6 59.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.241 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . 0.606 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 29.1 mmm -102.55 -47.64 4.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.431 -0.804 . . . . 10.0 109.985 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 468' ' ' PHE . . . . . 0.558 ' O ' HG12 ' D' ' 471' ' ' VAL . 66.7 m-85 -121.57 94.41 48.5 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.181 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -81.17 -2.65 11.8 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.286 1.991 . . . . 10.0 112.974 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 11.7 pm0 -99.16 -3.49 34.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.782 0.325 . . . . 10.0 111.416 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 471' ' ' VAL . . . . . 0.558 HG12 ' O ' ' D' ' 468' ' ' PHE . 9.9 p -94.07 135.34 24.74 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.589 -0.278 . . . . 10.0 110.405 -179.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 472' ' ' PRO . . . . . 0.437 ' HB3' ' CE1' ' D' ' 474' ' ' HIS . 32.6 Cg_exo -60.55 123.54 13.25 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.484 2.123 . . . . 10.0 112.136 178.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -57.19 -37.38 72.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.898 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 474' ' ' HIS . . . . . 0.437 ' CE1' ' HB3' ' D' ' 472' ' ' PRO . 53.7 p-80 -67.69 -24.42 65.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.592 0.234 . . . . 10.0 111.18 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 475' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' D' ' 475' ' ' LEU . 19.9 mt -80.27 -30.5 38.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.041 0.448 . . . . 10.0 109.913 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 57.9 t -65.93 -42.27 91.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.813 -0.631 . . . . 10.0 109.444 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.7 -20.79 66.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.908 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -73.13 -52.58 13.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.595 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 479' ' ' ASP . . . . . 0.549 ' HB3' HG23 ' D' ' 489' ' ' THR . 11.9 t70 -69.14 -32.4 71.74 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.938 0.399 . . . . 10.0 110.775 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.16 -30.01 67.85 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.168 0.508 . . . . 10.0 110.67 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -94.59 8.24 42.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.218 0.532 . . . . 10.0 110.526 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.41 -58.11 2.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.098 179.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 47.0 p -88.41 -32.75 18.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.419 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? 66.03 25.6 10.91 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.787 -0.642 . . . . 10.0 111.271 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 43.2 m -152.07 114.61 4.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.368 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 15.3 m -57.26 -29.62 33.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.44 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -65.5 -24.42 67.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.464 . . . . 10.0 111.01 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 30.7 mt -99.31 -31.86 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.96 0.409 . . . . 10.0 110.027 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 489' ' ' THR . . . . . 0.549 HG23 ' HB3' ' D' ' 479' ' ' ASP . 89.1 m -64.34 -53.48 48.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.362 -0.835 . . . . 10.0 111.443 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 490' ' ' THR . . . . . 0.405 ' HB ' HG13 ' B' ' 70' ' ' VAL . 1.5 m -59.57 -38.89 82.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.787 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 491' ' ' ASP . . . . . 0.421 ' O ' ' HG2' ' D' ' 495' ' ' GLU . 31.1 t70 -67.93 -41.19 82.93 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 178.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -54.98 -37.76 66.95 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.273 -0.876 . . . . 10.0 110.671 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 493' ' ' ILE . . . . . 0.449 HG13 ' O ' ' D' ' 489' ' ' THR . 59.7 mt -66.19 -43.21 92.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.188 179.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 76.1 mt -68.08 -35.93 78.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 495' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' D' ' 491' ' ' ASP . 7.1 mm-40 -69.81 -36.52 75.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.257 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 116.7 27.57 2.75 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.278 -0.963 . . . . 10.0 113.005 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -82.42 -41.6 19.66 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 3.8 mp -93.19 132.36 37.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.575 -0.739 . . . . 10.0 109.023 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 . . . . . 0 C--N 1.327 -0.374 0 CA-C-O 121.013 0.435 . . . . 10.0 111.144 -179.505 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.483 1.207 0 CA-C-O 120.678 0.275 . . . . 10.0 110.378 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -105.66 146.88 29.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.644 0.259 . . . . 10.0 110.683 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.7 pt -129.98 160.56 40.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.699 -0.482 . . . . 10.0 109.699 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -116.28 111.14 19.7 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.069 0.461 . . . . 10.0 111.136 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.2 t -97.44 120.41 46.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.988 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -94.26 123.76 37.86 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.141 0.496 . . . . 10.0 110.935 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.98 163.21 14.08 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.045 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.4 mt -58.13 -30.38 66.28 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.854 0.359 . . . . 10.0 111.656 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.07 4.85 13.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 10.0 112.196 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.72 5.53 89.34 Favored Glycine 0 C--N 1.329 0.165 0 C-N-CA 120.834 -0.698 . . . . 10.0 112.183 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -77.38 143.83 38.4 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.003 -0.369 . . . . 10.0 110.003 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.7 m -114.0 116.91 29.95 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.254 -0.43 . . . . 10.0 109.925 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.0 mt -105.33 128.85 58.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.68 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.44 138.2 38.76 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mt -146.51 139.92 25.8 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.844 0.354 . . . . 10.0 111.268 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -82.46 123.75 29.44 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.602 -0.726 . . . . 10.0 109.89 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.2 m -139.3 159.64 28.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.683 -0.69 . . . . 10.0 110.472 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -117.28 157.14 47.85 Favored Pre-proline 0 C--N 1.32 -0.715 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -55.45 -30.26 72.68 Favored 'Trans proline' 0 CA--C 1.531 0.372 0 C-N-CA 122.5 2.133 . . . . 10.0 112.866 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.55 1.77 54.27 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.17 0.433 . . . . 10.0 112.17 -179.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -74.59 143.73 44.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.769 0.319 . . . . 10.0 110.502 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.452 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -93.64 147.78 22.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.113 -179.444 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.42 HG12 ' O ' ' A' ' 54' ' ' ARG . 48.5 mm -57.34 -36.01 51.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-O 120.949 0.404 . . . . 10.0 110.81 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -57.9 -42.9 85.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.284 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -71.31 -36.49 71.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.304 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 22' ' ' THR . 97.0 t -60.83 -43.81 96.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.507 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -63.58 -33.63 76.04 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.97 0.414 . . . . 10.0 110.136 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.73 -33.4 72.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.699 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -67.09 -37.57 84.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.042 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.0 mt -71.64 -36.25 58.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 108.911 -0.774 . . . . 10.0 108.911 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -63.09 -38.01 89.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.35 -0.841 . . . . 10.0 109.762 178.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -65.96 -25.7 67.23 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.375 -0.829 . . . . 10.0 111.109 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -94.06 -57.09 2.63 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.202 0.445 . . . . 10.0 112.202 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -82.66 -43.62 16.71 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.396 0.517 . . . . 10.0 112.396 -178.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.2 18.08 16.05 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 120.799 -0.715 . . . . 10.0 112.45 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.8 mt -94.4 126.13 49.33 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 122.86 -0.2 . . . . 10.0 110.525 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.54 135.13 67.82 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.715 2.277 . . . . 10.0 112.19 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.36 -25.81 49.8 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.304 2.669 . . . . 10.0 113.471 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -65.63 -36.76 84.63 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.067 0.46 . . . . 10.0 111.527 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -90.69 5.43 48.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.058 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -102.39 113.31 26.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.645 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.3 mtt180 -115.17 108.79 17.09 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.418 -0.586 . . . . 10.0 109.418 177.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.7 mt -92.37 126.83 37.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.248 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.1 mp -118.32 131.08 72.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.293 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.494 ' HB3' HD21 ' A' ' 50' ' ' LEU . 75.6 t80 -125.68 115.64 20.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.051 -0.522 . . . . 10.0 109.836 179.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.26 28.25 17.83 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.524 0.515 . . . . 10.0 111.562 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.21 -1.54 82.67 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.947 -0.644 . . . . 10.0 112.71 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt -108.04 138.54 44.12 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.1 -0.333 . . . . 10.0 110.1 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -80.14 137.8 36.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.757 0.313 . . . . 10.0 110.404 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.494 HD21 ' HB3' ' A' ' 45' ' ' PHE . 55.1 mt -87.91 119.64 28.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.434 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -79.07 138.18 37.85 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.22 -0.446 . . . . 10.0 110.636 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.6 -42.38 71.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.618 -0.719 . . . . 10.0 112.473 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.36 25.77 3.67 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.996 -0.621 . . . . 10.0 113.827 -178.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.42 ' O ' HG12 ' A' ' 23' ' ' ILE . 72.4 mmt-85 -127.45 163.14 24.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 117.079 0.44 . . . . 10.0 110.241 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.7 p -106.04 177.85 4.73 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.422 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.0 mt -69.34 -32.72 71.98 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.231 0.538 . . . . 10.0 110.153 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.2 m -71.6 -13.61 61.82 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.705 -0.68 . . . . 10.0 111.126 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -77.5 -14.09 59.76 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.454 -0.339 . . . . 10.0 110.956 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -125.33 13.56 8.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.154 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.3 t30 60.17 33.77 21.09 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.934 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.6 mt -75.89 111.45 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.805 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -95.13 -167.7 1.67 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.793 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.7 pttt -73.67 144.27 45.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.684 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 61.21 32.31 19.45 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.935 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.6 m -75.34 156.92 35.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.669 0.271 . . . . 10.0 110.47 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.2 m -95.87 111.96 23.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.385 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -109.36 126.19 53.14 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.736 -0.468 . . . . 10.0 109.736 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -98.88 127.2 44.74 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 110.07 -0.344 . . . . 10.0 110.07 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.6 tp -107.02 123.41 48.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.036 0.446 . . . . 10.0 111.353 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.0 t -120.14 134.72 62.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.698 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 67.0 mt . . . . . 0 C--N 1.326 -0.447 0 N-CA-C 110.336 -0.246 . . . . 10.0 110.336 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.511 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 23.2 ptt? . . . . . 0 N--CA 1.483 1.197 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -106.17 142.62 35.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.943 0.402 . . . . 10.0 111.691 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.6 pt -128.08 160.55 37.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.201 -0.666 . . . . 10.0 109.201 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.437 ' O ' ' HA ' ' B' ' 66' ' ' THR . 51.0 m-85 -120.41 113.46 20.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.114 0.483 . . . . 10.0 111.099 -178.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -101.03 131.57 48.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.894 -0.594 . . . . 10.0 109.891 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -113.09 129.1 56.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.908 0.385 . . . . 10.0 110.777 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.435 HG22 HD23 ' B' ' 69' ' ' LEU . 73.3 p -93.22 171.76 8.72 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.416 HD23 ' HG3' ' D' ' 467' ' ' MET . 43.7 mt -70.79 -8.85 55.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.198 0.523 . . . . 10.0 110.852 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.77 -1.96 54.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.662 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.61 16.73 67.68 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.8 -0.714 . . . . 10.0 112.419 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 43.7 tttp -91.69 131.24 37.22 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.305 -0.257 . . . . 10.0 110.305 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.3 m -104.29 113.22 26.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.84 0.352 . . . . 10.0 110.312 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.6 mt -103.63 123.23 57.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.279 -0.418 . . . . 10.0 110.629 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.3 m -88.17 123.7 33.08 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.211 -0.449 . . . . 10.0 109.924 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 80.9 mt -124.34 145.21 49.57 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.84 0.352 . . . . 10.0 111.263 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -97.04 121.3 38.78 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.43 -0.581 . . . . 10.0 109.43 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.511 ' O ' ' HG2' ' B' ' 1' ' ' MET . 15.4 m -141.59 -175.9 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.723 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.496 ' O ' HD12 ' B' ' 56' ' ' LEU . 53.4 mm-40 -142.95 155.8 62.34 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 108.324 -0.991 . . . . 10.0 108.324 178.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -53.23 -31.21 54.77 Favored 'Trans proline' 0 CA--C 1.532 0.424 0 C-N-CA 122.618 2.212 . . . . 10.0 113.371 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.64 6.7 29.76 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.388 0.514 . . . . 10.0 112.388 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -73.75 158.52 34.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.112 0.482 . . . . 10.0 110.304 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.9 m -105.19 142.78 34.37 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.552 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 50.5 mm -53.38 -42.51 48.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-O 120.814 0.34 . . . . 10.0 111.19 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -58.27 -42.97 87.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.827 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -64.61 -38.36 90.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.25 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 67.0 t -61.54 -43.24 96.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 10.0 109.699 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -64.61 -35.31 80.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.242 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.58 -35.69 81.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.925 -0.58 . . . . 10.0 109.831 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -66.31 -38.62 88.12 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.875 179.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 82.5 mt -67.22 -35.37 73.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.165 -0.68 . . . . 10.0 109.165 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -70.14 -28.07 65.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.245 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -74.9 -45.93 39.37 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.943 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -76.87 -46.83 23.13 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.231 0.456 . . . . 10.0 112.231 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -93.05 -58.45 2.32 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 -178.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.08 0.28 10.63 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.701 -0.761 . . . . 10.0 112.303 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 15.7 mt -72.84 124.8 91.15 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 110.495 -0.187 . . . . 10.0 110.495 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -59.19 135.16 64.03 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.438 2.092 . . . . 10.0 111.909 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -55.57 -17.79 18.26 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.324 2.682 . . . . 10.0 113.395 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.63 -28.32 62.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.936 0.398 . . . . 10.0 111.163 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -103.21 13.64 33.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.951 0.405 . . . . 10.0 110.58 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -102.51 108.57 19.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.124 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -111.49 110.22 20.54 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.198 -0.667 . . . . 10.0 109.198 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 32.7 mt -94.02 134.35 36.52 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.138 0.494 . . . . 10.0 111.431 -178.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.434 HG12 ' CE2' ' D' ' 468' ' ' PHE . 1.6 mp -123.65 132.72 70.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.485 -0.779 . . . . 10.0 109.69 179.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.607 ' HB3' HD21 ' B' ' 50' ' ' LEU . 76.0 t80 -137.03 124.54 22.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.999 -0.546 . . . . 10.0 109.912 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.61 37.7 19.17 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.463 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.21 29.15 68.94 Favored Glycine 0 CA--C 1.517 0.172 0 C-N-CA 120.846 -0.693 . . . . 10.0 112.972 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -143.98 147.55 34.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.568 0.223 . . . . 10.0 110.481 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.77 142.17 31.79 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.384 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.607 HD21 ' HB3' ' B' ' 45' ' ' PHE . 31.9 mt -93.8 149.04 21.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.147 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.428 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 38.0 mt-10 -98.75 151.64 20.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.249 -0.432 . . . . 10.0 109.973 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.48 -52.09 66.69 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.397 0.518 . . . . 10.0 112.397 -178.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.3 58.92 4.95 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.802 -0.713 . . . . 10.0 113.342 -178.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.428 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 25.3 mmt180 -141.33 160.7 39.57 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.277 -0.268 . . . . 10.0 110.277 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.518 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 69.7 p -103.81 171.12 7.53 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.528 -0.545 . . . . 10.0 109.528 178.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.496 HD12 ' O ' ' B' ' 18' ' ' GLU . 27.2 mt -68.35 -33.67 74.71 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.204 -0.665 . . . . 10.0 109.204 178.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.97 -22.94 65.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.511 -0.768 . . . . 10.0 111.441 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.518 ' HB2' ' O ' ' B' ' 55' ' ' THR . 0.7 OUTLIER -57.08 -46.22 82.7 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.068 0.461 . . . . 10.0 111.058 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -103.13 12.21 36.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.293 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 59.54 38.07 22.51 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.34 -0.846 . . . . 10.0 111.974 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 62.1 mt -74.8 107.4 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.981 -0.554 . . . . 10.0 109.637 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -95.98 -165.48 1.29 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.802 -0.636 . . . . 10.0 110.93 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -79.45 153.86 29.34 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.453 -0.339 . . . . 10.0 110.437 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 69.44 6.32 5.63 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.694 0.621 . . . . 10.0 111.98 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 13.0 m -74.32 147.67 42.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.905 0.383 . . . . 10.0 111.093 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.437 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 2.0 m -99.15 129.74 45.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.304 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -115.84 130.99 57.06 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.237 -0.438 . . . . 10.0 109.939 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.527 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 50.0 m80 -88.15 120.39 29.46 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.44 -0.346 . . . . 10.0 110.074 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.435 HD23 HG22 ' B' ' 7' ' ' THR . 51.6 tp -104.72 107.45 18.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.169 0.509 . . . . 10.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 68.6 t -96.61 122.9 48.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.592 -0.731 . . . . 10.0 109.709 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 55.3 mt -83.62 119.87 25.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.674 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.509 ' HA ' ' CG ' ' D' ' 491' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.709 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.233 0.195 0 CA-C-O 121.043 0.449 . . . . 10.0 111.105 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -68.52 -41.16 80.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.315 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 59.3 mt -66.23 -38.17 87.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.566 -0.743 . . . . 10.0 110.886 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -63.54 -41.41 98.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.463 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.7 92.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.379 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 41.5 mtt -67.66 -46.01 73.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.949 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.39 -38.56 84.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.682 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -59.92 -35.46 74.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.256 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -68.77 -39.04 80.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.026 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 61.4 mt -67.5 -34.63 69.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.668 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 -63.84 -23.6 67.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.581 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -80.64 -19.39 45.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.447 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . 0.527 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 62.6 mmm -85.27 -49.45 8.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.02 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 468' ' ' PHE . . . . . 0.47 ' O ' HG12 ' D' ' 471' ' ' VAL . 0.5 OUTLIER -124.11 91.34 49.72 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.979 179.299 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -78.54 41.64 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.805 2.337 . . . . 10.0 112.942 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -147.37 18.3 1.19 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.072 0.463 . . . . 10.0 110.709 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 471' ' ' VAL . . . . . 0.47 HG12 ' O ' ' D' ' 468' ' ' PHE . 10.6 p -115.51 133.12 22.81 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.846 -0.616 . . . . 10.0 109.941 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 472' ' ' PRO . . . . . 0.445 ' HB3' ' CE1' ' D' ' 474' ' ' HIS . 52.5 Cg_exo -56.05 116.26 3.05 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.549 2.166 . . . . 10.0 112.224 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -54.89 -38.31 67.39 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.964 -179.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 474' ' ' HIS . . . . . 0.445 ' CE1' ' HB3' ' D' ' 472' ' ' PRO . 12.2 p-80 -64.0 -25.81 68.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.578 -0.283 . . . . 10.0 111.485 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 39.7 mt -85.55 -29.34 24.25 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.067 -0.346 . . . . 10.0 110.067 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 58.5 t -65.76 -40.92 89.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 108.808 -0.812 . . . . 10.0 108.808 178.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 49.1 mt -66.14 -26.78 67.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.519 -0.764 . . . . 10.0 110.637 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.34 -49.36 74.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.064 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 479' ' ' ASP . . . . . 0.584 ' HB2' HD11 ' D' ' 498' ' ' ILE . 10.9 t0 -74.95 -28.46 60.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.972 0.415 . . . . 10.0 110.295 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.17 -25.48 67.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.999 0.428 . . . . 10.0 110.258 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -92.83 -2.67 55.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.184 0.516 . . . . 10.0 110.078 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -103.89 -68.18 0.86 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.547 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.94 -41.01 37.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.081 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 63.06 37.58 11.5 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.89 -0.595 . . . . 10.0 111.508 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 50.6 m -155.94 109.21 2.71 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.037 -0.357 . . . . 10.0 110.037 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 5.2 m -45.65 -36.9 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 113.396 0.888 . . . . 10.0 113.396 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -64.12 -65.22 0.71 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.033 0.444 . . . . 10.0 111.08 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 488' ' ' ILE . . . . . 0.449 ' H ' HG13 ' D' ' 488' ' ' ILE . 16.3 mt -58.29 -35.9 55.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.452 -0.795 . . . . 10.0 112.026 -179.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 33.0 m -65.64 -63.23 1.14 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.039 -0.528 . . . . 10.0 112.251 -178.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 3.3 m -57.0 -39.05 73.95 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.186 0.439 . . . . 10.0 112.186 -177.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 491' ' ' ASP . . . . . 0.509 ' CG ' ' HA ' ' B' ' 72' ' ' ARG . 5.3 t0 -62.72 -57.68 10.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.906 0.384 . . . . 10.0 111.844 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 492' ' ' ASN . . . . . 0.411 ' HB3' ' HD3' ' D' ' 497' ' ' ARG . 37.8 m-80 -64.52 -22.43 66.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.387 -178.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 493' ' ' ILE . . . . . 0.425 HG12 HD13 ' D' ' 498' ' ' ILE . 11.6 mt -64.18 -37.0 78.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 178.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.96 -23.0 66.11 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.949 -0.568 . . . . 10.0 111.013 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -85.42 -3.12 58.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.535 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 95.31 31.56 7.5 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.504 -0.855 . . . . 10.0 112.502 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 497' ' ' ARG . . . . . 0.411 ' HD3' ' HB3' ' D' ' 492' ' ' ASN . 2.3 ttt180 -73.95 -34.03 64.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.463 0.649 . . . . 10.0 109.316 178.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 498' ' ' ILE . . . . . 0.584 HD11 ' HB2' ' D' ' 479' ' ' ASP . 1.4 mp -104.92 134.43 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 108.537 -0.912 . . . . 10.0 108.537 178.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 . . . . . 0 C--N 1.328 -0.367 0 CA-C-O 120.92 0.391 . . . . 10.0 110.923 -179.607 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 109.916 -0.401 . . . . 10.0 109.916 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -107.84 131.55 54.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.914 0.388 . . . . 10.0 111.375 -179.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.4 pt -121.92 151.53 25.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.974 -0.557 . . . . 10.0 109.543 178.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -113.25 119.57 38.17 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.717 0.294 . . . . 10.0 110.879 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 63.9 t -105.49 121.21 57.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.268 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -97.17 138.92 33.93 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.044 0.449 . . . . 10.0 110.793 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.417 ' OG1' ' HB3' ' A' ' 11' ' ' LYS . 9.2 p -105.77 168.84 8.84 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.012 179.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.3 mt -59.44 -29.31 67.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 10.0 111.456 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.8 -5.62 57.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.773 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.46 -9.65 71.53 Favored Glycine 0 C--N 1.33 0.209 0 C-N-CA 120.741 -0.743 . . . . 10.0 112.948 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.417 ' HB3' ' OG1' ' A' ' 7' ' ' THR . 27.8 tttp -62.61 125.38 23.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.636 0.255 . . . . 10.0 110.411 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.1 m -102.23 113.76 27.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.816 0.341 . . . . 10.0 110.634 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.0 mt -103.23 124.33 57.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.773 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 m -94.58 125.85 39.49 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.61 -0.515 . . . . 10.0 109.61 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.5 mt -122.34 140.73 52.33 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.743 0.306 . . . . 10.0 111.147 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -93.9 111.79 23.54 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 108.991 -0.744 . . . . 10.0 108.991 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 22.9 m -134.8 176.06 9.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.427 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -132.75 160.25 69.21 Favored Pre-proline 0 C--N 1.319 -0.722 0 N-CA-C 109.07 -0.715 . . . . 10.0 109.07 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.9 -27.95 56.29 Favored 'Trans proline' 0 N--CA 1.474 0.354 0 C-N-CA 122.646 2.231 . . . . 10.0 113.572 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.19 5.35 41.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.477 -0.328 . . . . 10.0 111.785 -179.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -80.73 140.72 35.41 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.745 0.307 . . . . 10.0 110.225 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.47 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -87.6 148.0 25.04 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.571 -179.699 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.1 mm -57.96 -37.12 59.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.922 0.392 . . . . 10.0 110.062 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -59.64 -44.46 93.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.266 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -65.68 -36.29 83.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.883 -0.598 . . . . 10.0 110.161 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 22' ' ' THR . 90.2 t -62.5 -44.64 99.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.987 -0.551 . . . . 10.0 109.97 178.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -66.05 -33.24 75.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.221 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.42 -34.67 78.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.065 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -68.5 -39.91 81.09 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.474 -0.565 . . . . 10.0 109.474 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 55.5 mt -67.65 -34.2 66.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 121.625 0.726 . . . . 10.0 109.35 178.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.461 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 27.3 tt0 -64.55 -30.65 71.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.801 -1.09 . . . . 10.0 110.393 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -86.32 -33.81 20.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.345 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm -69.61 -59.26 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.493 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -94.6 -47.78 6.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.745 0.307 . . . . 10.0 111.425 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.461 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 118.99 -5.14 13.79 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.491 -0.862 . . . . 10.0 112.091 -179.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.1 mt -60.68 126.19 84.54 Favored Pre-proline 0 C--N 1.324 -0.51 0 C-N-CA 122.588 0.355 . . . . 10.0 111.234 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -60.86 129.4 28.86 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.476 2.117 . . . . 10.0 111.868 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -52.35 -24.18 20.56 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.367 2.711 . . . . 10.0 113.912 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.12 -35.31 80.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.808 0.337 . . . . 10.0 111.383 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -94.01 -3.67 50.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.835 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -82.02 103.94 12.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.382 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.402 HH22 ' HA ' ' D' ' 472' ' ' PRO . 39.4 ttt180 -107.79 100.03 9.44 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.721 -0.474 . . . . 10.0 109.721 178.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.401 ' HB3' HD12 ' A' ' 50' ' ' LEU . 34.4 mt -86.87 130.11 34.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.284 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.6 mt -130.75 135.85 59.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.761 -0.654 . . . . 10.0 109.766 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -129.28 109.92 11.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.96 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.49 24.43 14.06 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.916 -0.583 . . . . 10.0 111.786 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.19 -9.34 59.48 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.754 -0.736 . . . . 10.0 112.195 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -90.88 121.75 33.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.361 0.124 . . . . 10.0 110.765 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -76.74 122.1 24.25 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.783 -0.821 . . . . 10.0 108.783 178.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.401 HD12 ' HB3' ' A' ' 43' ' ' LEU . 12.4 mt -87.37 121.92 30.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.87 0.367 . . . . 10.0 111.642 -178.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.439 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 45.2 mt-10 -84.83 146.58 27.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.641 178.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -61.17 -36.01 78.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.066 -0.515 . . . . 10.0 111.93 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.62 28.5 3.49 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 121.103 -0.57 . . . . 10.0 113.707 -178.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.439 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 17.9 mmt180 -129.52 165.41 21.73 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.823 -0.436 . . . . 10.0 109.823 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 48.1 p -106.16 172.0 7.04 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.627 -0.509 . . . . 10.0 109.627 178.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.9 mt -67.15 -27.15 67.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.232 0.539 . . . . 10.0 110.388 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.8 m -75.83 -23.18 55.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.938 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.3 m-20 -61.61 -37.84 85.41 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.33 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -102.75 8.12 39.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.446 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 61.23 64.85 1.04 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 123.948 0.78 . . . . 10.0 111.015 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 54.0 mt -112.16 126.93 69.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.048 -0.523 . . . . 10.0 109.895 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -120.48 -170.79 2.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.042 0.448 . . . . 10.0 110.912 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -64.23 155.97 30.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.98 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 70.28 -5.95 1.24 Allowed 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.289 0.636 . . . . 10.0 112.394 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.7 m -72.55 137.43 46.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.882 0.372 . . . . 10.0 110.532 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.9 m -102.19 125.0 48.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.456 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 mp -105.81 158.51 16.69 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.694 -0.684 . . . . 10.0 109.361 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -120.15 137.88 53.91 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 121.04 -0.264 . . . . 10.0 110.384 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.5 tp -117.3 113.51 22.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.122 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.1 t -108.8 136.04 45.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.178 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.5 mt . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 116.615 -0.266 . . . . 10.0 110.429 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.412 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 25.2 ptt? . . . . . 0 N--CA 1.475 0.82 0 N-CA-C 109.953 -0.388 . . . . 10.0 109.953 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -93.71 139.86 30.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.954 0.407 . . . . 10.0 111.73 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.5 pt -127.74 148.17 32.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.477 -0.783 . . . . 10.0 109.571 178.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -105.42 109.78 21.89 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.9 0.381 . . . . 10.0 110.573 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -93.47 117.4 36.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.273 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -92.97 132.36 37.13 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.759 -0.459 . . . . 10.0 109.759 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 33.2 p -114.87 161.34 18.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.784 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 24.3 mt -69.57 -14.79 63.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.975 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.47 -4.41 58.92 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.847 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.96 26.63 48.54 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.996 -0.621 . . . . 10.0 112.617 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -112.3 124.57 52.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.633 0.254 . . . . 10.0 110.547 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -95.27 113.1 24.74 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 6.8 mt -97.21 125.25 50.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.147 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.24 114.48 26.58 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.782 -0.645 . . . . 10.0 109.652 179.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 93.9 mt -116.24 143.83 45.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.125 0.488 . . . . 10.0 112.113 -178.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -95.4 109.12 21.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.269 -0.878 . . . . 10.0 108.74 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.412 ' O ' ' HG2' ' B' ' 1' ' ' MET . 18.9 m -134.63 173.01 15.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.101 0.477 . . . . 10.0 111.027 -178.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.579 ' O ' HD12 ' B' ' 56' ' ' LEU . 56.8 mm-40 -131.1 152.57 80.88 Favored Pre-proline 0 C--N 1.317 -0.839 0 N-CA-C 108.607 -0.886 . . . . 10.0 108.607 178.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.29 -31.15 65.62 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.357 2.038 . . . . 10.0 112.259 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -84.01 5.95 23.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.778 -0.646 . . . . 10.0 112.257 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -84.24 137.93 33.22 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.886 -0.412 . . . . 10.0 109.886 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.6 m -80.63 144.37 32.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.768 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.44 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 45.6 mm -56.38 -40.38 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 CA-C-N 116.566 -0.288 . . . . 10.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -56.62 -38.17 71.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.038 0.446 . . . . 10.0 110.59 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.44 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 66.3 t30 -68.56 -36.55 78.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.075 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.42 ' O ' HG13 ' B' ' 30' ' ' ILE . 46.6 t -65.04 -39.16 84.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 178.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' B' ' 23' ' ' ILE . 7.4 mmmm -61.21 -39.05 88.79 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.78 -0.646 . . . . 10.0 109.932 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.52 ' O ' ' HG2' ' B' ' 31' ' ' GLN . . . -66.87 -37.85 85.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.531 -0.759 . . . . 10.0 110.489 179.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 96.3 mttt -63.2 -30.54 71.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.09 0.471 . . . . 10.0 110.036 179.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.42 HG13 ' O ' ' B' ' 26' ' ' VAL . 73.3 mt -72.45 -32.19 41.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.122 -0.49 . . . . 10.0 109.825 178.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' B' ' 28' ' ' ALA . 4.7 pt20 -77.81 -23.84 48.94 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 178.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -77.27 -44.61 29.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.367 -0.833 . . . . 10.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.1 mttm -87.13 -58.94 2.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.147 -0.479 . . . . 10.0 111.974 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -74.48 -56.38 4.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.668 0.271 . . . . 10.0 110.695 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.54 6.15 17.84 Favored Glycine 0 C--O 1.228 -0.247 0 C-N-CA 120.708 -0.758 . . . . 10.0 112.758 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.5 mt -86.32 126.31 65.09 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 110.192 -0.299 . . . . 10.0 110.192 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.43 127.98 26.09 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.962 2.441 . . . . 10.0 112.15 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.58 ' HA ' ' CD ' ' B' ' 41' ' ' GLN . 79.9 Cg_exo -49.31 -37.43 40.26 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.547 2.831 . . . . 10.0 113.832 -179.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -62.84 -24.08 67.61 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.927 -0.579 . . . . 10.0 112.225 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -96.0 -5.69 40.59 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.309 0.485 . . . . 10.0 112.309 -178.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.58 ' CD ' ' HA ' ' B' ' 38' ' ' PRO . 0.6 OUTLIER -95.38 139.72 31.28 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.596 -0.441 . . . . 10.0 110.696 -179.461 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.442 ' CZ ' HD22 ' D' ' 494' ' ' LEU . 0.6 OUTLIER -124.49 99.09 6.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.28 -0.418 . . . . 10.0 109.911 179.363 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 16.8 mt -79.9 127.19 31.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.333 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mp -120.3 139.67 46.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.541 -0.754 . . . . 10.0 109.967 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.505 ' HB3' HD21 ' B' ' 50' ' ' LEU . 42.9 t80 -137.48 123.47 20.23 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.356 -0.609 . . . . 10.0 109.356 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.4 17.56 10.39 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.645 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.43 -6.44 52.92 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.829 -0.7 . . . . 10.0 113.512 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -117.41 151.75 36.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 117.207 0.504 . . . . 10.0 111.403 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.33 146.52 32.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.141 -179.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.505 HD21 ' HB3' ' B' ' 45' ' ' PHE . 24.4 mt -95.27 150.77 19.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.326 179.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -97.03 137.82 35.51 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 178.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.409 ' OD1' ' HG3' ' B' ' 27' ' ' LYS . 32.4 m-20 -58.67 -37.65 76.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.504 -0.316 . . . . 10.0 111.362 -179.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.94 38.3 3.19 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.112 -0.566 . . . . 10.0 113.26 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.426 ' O ' HG12 ' B' ' 23' ' ' ILE . 75.4 mmt-85 -131.67 163.17 28.71 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 179.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.455 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 0.0 OUTLIER -104.14 160.3 14.97 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.723 -179.592 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.579 HD12 ' O ' ' B' ' 18' ' ' GLU . 91.4 mt -61.56 -35.1 76.85 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.706 0.288 . . . . 10.0 111.115 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 4.8 m -64.34 -26.83 68.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.463 -0.335 . . . . 10.0 111.497 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.455 ' HB2' ' O ' ' B' ' 55' ' ' THR . 6.2 m-20 -60.17 -36.99 78.83 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.067 0.46 . . . . 10.0 110.919 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -98.72 9.07 44.14 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.681 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 57.95 38.72 26.94 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.586 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 82.0 mt -75.75 110.51 10.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.936 0.398 . . . . 10.0 110.221 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -90.3 179.89 5.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.71 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -77.43 152.2 34.4 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.617 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 63.03 39.59 9.98 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.031 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 19.1 m -107.17 164.42 12.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.705 -0.679 . . . . 10.0 110.415 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.9 m -108.65 133.38 52.83 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.7 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.3 mp -116.11 145.87 42.69 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.194 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.512 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 36.4 m80 -98.56 114.36 26.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.428 -0.351 . . . . 10.0 111.17 -179.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.45 HD11 ' HB3' ' B' ' 41' ' ' GLN . 47.4 tp -98.05 90.31 4.84 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.294 -0.632 . . . . 10.0 109.294 178.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.432 ' CG1' ' HB ' ' D' ' 490' ' ' THR . 59.8 t -82.61 140.64 16.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.962 -0.563 . . . . 10.0 111.101 -178.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 34.6 mt -88.95 162.77 15.89 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.539 -0.755 . . . . 10.0 109.604 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.558 ' HE ' ' CG ' ' D' ' 491' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 C-N-CA 121.064 -0.254 . . . . 10.0 110.837 -179.048 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.53 0.208 0 N-CA-C 112.245 0.461 . . . . 10.0 112.245 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -66.48 -42.72 87.04 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.11 -0.236 . . . . 10.0 111.569 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 8.0 mt -62.34 -42.88 99.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.649 -0.25 . . . . 10.0 110.386 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -62.12 -46.32 89.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.469 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -59.66 -44.28 93.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 10.0 111.295 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 48.8 mtm -66.02 -40.44 91.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.734 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -67.59 -32.86 73.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.628 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -58.5 -45.85 87.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.584 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 463' ' ' GLN . . . . . 0.577 ' O ' ' HG2' ' D' ' 467' ' ' MET . 0.4 OUTLIER -63.75 -39.24 93.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.701 179.657 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 88.0 mt -67.04 -35.25 74.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.379 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 15.4 tp60 -63.78 -32.31 73.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.175 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -69.69 -37.33 76.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.094 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . 0.577 ' HG2' ' O ' ' D' ' 463' ' ' GLN . 67.0 mmm -73.84 -44.18 56.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.499 -0.773 . . . . 10.0 111.187 -179.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 468' ' ' PHE . . . . . 0.578 ' O ' HG12 ' D' ' 471' ' ' VAL . 37.5 m-85 -116.86 91.56 35.83 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-O 121.008 0.432 . . . . 10.0 110.023 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -68.15 -19.96 44.26 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 123.004 2.469 . . . . 10.0 113.567 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 15.0 pm0 -90.09 -12.36 38.63 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.032 0.382 . . . . 10.0 112.032 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 471' ' ' VAL . . . . . 0.578 HG12 ' O ' ' D' ' 468' ' ' PHE . 2.1 p -83.12 139.9 42.51 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 120.578 0.228 . . . . 10.0 110.654 -179.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 472' ' ' PRO . . . . . 0.425 ' HD2' HG22 ' D' ' 471' ' ' VAL . 53.7 Cg_endo -83.18 131.66 5.89 Favored 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 122.111 1.874 . . . . 10.0 112.52 178.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -48.51 -42.54 33.35 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.151 -0.931 . . . . 10.0 113.354 -178.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 474' ' ' HIS . . . . . 0.413 ' CE1' ' HB2' ' D' ' 472' ' ' PRO . 36.1 p-80 -64.1 -36.02 82.66 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 112.12 0.415 . . . . 10.0 112.12 -177.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 475' ' ' LEU . . . . . 0.456 ' O ' ' HB3' ' D' ' 478' ' ' GLN . 21.0 mt -75.29 -28.67 59.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.796 0.332 . . . . 10.0 110.457 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 476' ' ' VAL . . . . . 0.407 HG23 ' O ' ' D' ' 472' ' ' PRO . 62.2 t -66.62 -45.4 88.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.445 -0.576 . . . . 10.0 109.445 178.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 55.4 mt -63.0 -27.09 69.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.534 -0.757 . . . . 10.0 110.528 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 478' ' ' GLN . . . . . 0.456 ' HB3' ' O ' ' D' ' 475' ' ' LEU . 0.0 OUTLIER -61.55 -50.03 74.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.019 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -69.73 -34.97 74.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.343 -0.39 . . . . 10.0 110.412 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.7 -25.05 64.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.413 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -79.28 -15.05 58.58 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.467 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 482' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' D' ' 482' ' ' LEU . 3.9 mm? -110.18 -43.81 3.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.758 0.313 . . . . 10.0 111.738 -178.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 69.5 p -89.71 -41.56 11.84 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.578 0.228 . . . . 10.0 111.312 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? 63.55 24.43 14.02 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.379 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 2.2 t -142.15 122.87 14.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.527 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 31.1 m -62.97 -27.81 43.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.963 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -67.9 -38.09 82.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.612 -0.722 . . . . 10.0 111.008 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 31.6 mt -85.01 -30.42 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.453 -0.339 . . . . 10.0 110.84 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 90.2 m -63.95 -48.47 76.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.53 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 490' ' ' THR . . . . . 0.432 ' HB ' ' CG1' ' B' ' 70' ' ' VAL . 3.2 p -66.13 -32.16 73.44 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.085 0.469 . . . . 10.0 109.9 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 491' ' ' ASP . . . . . 0.558 ' CG ' ' HE ' ' B' ' 72' ' ' ARG . 12.9 t0 -62.18 -54.84 35.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.266 -0.879 . . . . 10.0 109.166 178.123 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 492' ' ' ASN . . . . . 0.431 ' HB3' ' HB3' ' D' ' 497' ' ' ARG . 67.1 m-20 -57.11 -35.3 69.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.501 -1.227 . . . . 10.0 111.726 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 96.6 mt -73.7 -41.47 54.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 10.0 111.112 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 494' ' ' LEU . . . . . 0.442 HD22 ' CZ ' ' B' ' 42' ' ' ARG . 0.2 OUTLIER -66.12 -26.01 67.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.2 -0.455 . . . . 10.0 111.413 -179.56 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -86.29 -77.96 0.3 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.065 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 167.2 29.96 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.201 -0.999 . . . . 10.0 113.148 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 497' ' ' ARG . . . . . 0.431 ' HB3' ' HB3' ' D' ' 492' ' ' ASN . 5.7 tpp180 -74.96 -49.43 20.05 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 3.6 mp -86.38 122.46 38.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.145 -0.934 . . . . 10.0 108.755 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 . . . . . 0 C--N 1.324 -0.537 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.852 -179.26 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.485 1.308 0 N-CA-C 110.26 -0.274 . . . . 10.0 110.26 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 -104.33 136.55 43.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.785 0.326 . . . . 10.0 111.407 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.2 pt -130.04 168.56 22.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.503 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.435 ' O ' ' HA ' ' A' ' 66' ' ' THR . 45.9 m-85 -126.83 128.83 47.16 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.524 -0.307 . . . . 10.0 110.428 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.0 t -108.84 120.85 60.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -103.95 139.51 39.0 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.155 0.502 . . . . 10.0 111.317 -178.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.9 p -104.9 168.54 8.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.498 -0.773 . . . . 10.0 110.592 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.7 mt -67.24 -25.64 66.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.426 -0.352 . . . . 10.0 111.237 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.33 -15.04 62.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.079 -0.509 . . . . 10.0 111.822 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.51 21.5 21.75 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.582 -0.818 . . . . 10.0 112.078 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.0 tttp -105.14 136.45 44.6 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.829 0.347 . . . . 10.0 110.417 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.6 m -109.18 123.92 50.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.368 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.0 mt -104.85 132.24 52.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.521 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -89.01 133.97 34.15 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.958 -0.386 . . . . 10.0 109.958 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.4 mt -139.27 135.62 34.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.079 0.466 . . . . 10.0 111.655 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -93.12 116.92 29.49 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.39 -0.823 . . . . 10.0 108.893 178.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.6 m -136.16 173.26 14.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.142 -178.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.557 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 6.8 mm-40 -131.98 161.06 64.93 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.638 -0.71 . . . . 10.0 109.294 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.87 -27.91 74.59 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.079 1.853 . . . . 10.0 112.003 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.81 -3.2 56.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.55 -0.75 . . . . 10.0 111.452 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.557 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -70.5 128.84 37.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.92 0.39 . . . . 10.0 110.332 -179.872 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.51 148.43 26.53 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.057 -0.519 . . . . 10.0 109.744 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.1 mm -56.11 -39.02 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.737 0.303 . . . . 10.0 110.701 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -60.41 -35.23 75.28 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.681 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -71.1 -37.4 72.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.83 0.348 . . . . 10.0 110.065 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.8 t -62.14 -40.37 87.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.49 -0.559 . . . . 10.0 109.49 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -60.82 -40.63 93.46 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.686 -0.688 . . . . 10.0 109.892 178.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.96 -39.85 90.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.636 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -63.1 -36.61 84.18 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.018 0.437 . . . . 10.0 110.155 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 97.4 mt -67.95 -38.48 80.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.989 -0.55 . . . . 10.0 109.896 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -71.16 -31.12 67.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.912 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.89 -43.82 82.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.069 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -82.61 -59.13 2.62 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.442 0.534 . . . . 10.0 112.442 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -81.14 -50.83 9.13 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.387 0.514 . . . . 10.0 112.387 -178.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.32 21.13 8.17 Favored Glycine 0 C--N 1.322 -0.219 0 C-N-CA 120.378 -0.915 . . . . 10.0 112.636 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.9 mt -87.81 128.75 53.08 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 110.114 -0.328 . . . . 10.0 110.114 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -55.07 132.06 50.08 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.659 2.239 . . . . 10.0 111.687 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -60.67 -24.46 78.63 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.696 2.264 . . . . 10.0 112.774 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -66.63 -33.89 76.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.073 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -95.12 6.33 49.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.037 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -94.19 115.23 27.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.046 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -120.83 98.16 5.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.195 0.521 . . . . 10.0 109.625 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.441 ' HB3' HD12 ' A' ' 50' ' ' LEU . 58.0 mt -84.52 132.04 34.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.648 -0.706 . . . . 10.0 111.732 -178.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 74.3 mt -129.03 137.26 57.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.527 -0.76 . . . . 10.0 109.436 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.522 ' HB3' HD21 ' A' ' 50' ' ' LEU . 74.1 t80 -137.33 125.99 23.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.517 0.198 . . . . 10.0 110.809 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.96 26.96 15.65 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.911 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.422 ' HA2' ' CZ ' ' D' ' 473' ' ' TYR . . . 83.0 17.35 67.59 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.665 -0.779 . . . . 10.0 112.847 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -127.44 133.47 49.93 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.907 -0.405 . . . . 10.0 109.907 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -74.92 132.54 41.52 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.876 0.37 . . . . 10.0 110.234 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.522 HD21 ' HB3' ' A' ' 45' ' ' PHE . 41.5 mt -85.94 123.67 31.54 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.088 -179.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -86.59 138.52 31.63 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.035 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.66 -33.13 69.75 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.71 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.89 41.3 2.99 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.012 -0.613 . . . . 10.0 112.372 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 77.4 mmt-85 -140.58 160.76 39.32 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.633 -0.506 . . . . 10.0 109.633 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.537 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -104.72 171.49 7.29 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.521 -0.309 . . . . 10.0 110.388 179.478 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.4 HD12 ' O ' ' A' ' 18' ' ' GLU . 62.7 mt -64.98 -38.12 89.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.735 0.302 . . . . 10.0 111.417 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.96 -20.1 66.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.506 -0.315 . . . . 10.0 111.533 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.537 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.9 m-20 -63.03 -36.36 83.32 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.935 0.398 . . . . 10.0 111.116 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -107.39 19.12 20.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.071 -178.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 60.06 31.75 20.73 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.674 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.9 mt -75.97 115.64 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.018 0.437 . . . . 10.0 110.124 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -115.06 -161.58 0.78 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.521 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.435 ' HG2' ' H ' ' A' ' 63' ' ' LYS . 31.9 pttt -72.23 147.82 46.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.44 -0.345 . . . . 10.0 111.256 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 70.64 13.51 7.28 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.314 0.646 . . . . 10.0 111.798 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.4 m -77.07 133.31 39.1 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.807 0.337 . . . . 10.0 110.277 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 19.6 m -100.71 114.23 27.79 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.3 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.4 mp -95.6 136.37 36.09 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.587 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -99.74 130.4 45.95 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.968 0.413 . . . . 10.0 110.749 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.8 tp -108.19 102.67 11.8 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.578 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.4 t -89.9 121.58 40.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.993 -0.549 . . . . 10.0 109.678 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 24.5 mt . . . . . 0 C--N 1.32 -0.694 0 CA-C-N 116.22 -0.446 . . . . 10.0 110.372 -179.819 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.76 ' SD ' ' HA ' ' B' ' 63' ' ' LYS . 14.0 ptt? . . . . . 0 N--CA 1.478 0.962 0 N-CA-C 110.159 -0.311 . . . . 10.0 110.159 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.492 ' O ' ' HA ' ' B' ' 64' ' ' GLU . 71.7 mm-40 -106.55 138.76 42.14 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.062 -0.347 . . . . 10.0 110.062 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 25.4 pt -117.91 153.98 19.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 110.198 -0.297 . . . . 10.0 110.198 178.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -107.33 117.48 34.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.91 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 16.9 t -119.17 109.8 27.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.649 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -88.68 140.09 29.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.974 0.416 . . . . 10.0 110.953 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.56 168.7 8.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.559 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.424 HD23 ' HB3' ' D' ' 463' ' ' GLN . 25.8 mt -67.93 -5.85 19.07 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 111.942 0.349 . . . . 10.0 111.942 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.31 -9.38 50.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.898 0.38 . . . . 10.0 110.62 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.73 -9.06 68.62 Favored Glycine 0 C--N 1.331 0.26 0 CA-C-N 115.956 -0.565 . . . . 10.0 111.869 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -78.54 139.93 38.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.5 -0.35 . . . . 10.0 110.874 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -105.33 117.23 33.48 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.708 -0.479 . . . . 10.0 109.708 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 10.4 mt -93.87 136.36 25.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.5 -0.318 . . . . 10.0 110.685 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 5.9 m -106.45 126.59 52.44 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.388 -0.597 . . . . 10.0 109.388 178.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 48.7 mt -123.03 142.15 51.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.553 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -94.38 109.91 21.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.373 -0.83 . . . . 10.0 109.222 178.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 19.2 m -141.01 176.59 4.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.315 0.579 . . . . 10.0 111.862 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -131.72 156.98 79.42 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 108.133 -1.062 . . . . 10.0 108.133 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.43 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 47.6 Cg_exo -56.15 -34.86 94.21 Favored 'Trans proline' 0 CA--C 1.531 0.344 0 C-N-CA 122.25 1.967 . . . . 10.0 112.713 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.53 0.13 27.36 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.128 0.418 . . . . 10.0 112.128 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -74.07 141.87 45.68 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.953 -0.388 . . . . 10.0 109.953 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.65 144.51 25.68 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.609 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 51.3 mm -54.48 -36.37 34.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-O 121.078 0.466 . . . . 10.0 110.445 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -57.5 -43.83 84.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.619 -0.718 . . . . 10.0 110.592 178.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -70.99 -34.52 71.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.544 -0.753 . . . . 10.0 110.664 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 96.0 t -62.49 -40.04 86.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.555 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -63.44 -30.48 71.6 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.994 0.426 . . . . 10.0 110.624 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.15 -35.83 76.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.136 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -69.44 -34.2 74.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.177 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 84.8 mt -71.52 -40.46 71.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.858 -0.423 . . . . 10.0 109.858 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.445 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 65.4 tt0 -66.64 -24.98 66.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.222 0.534 . . . . 10.0 110.224 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -77.95 -21.66 50.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.84 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -103.32 -59.52 1.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.633 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -80.69 -27.22 37.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.536 -178.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.445 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 83.91 9.29 82.9 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.597 -0.811 . . . . 10.0 112.92 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 66.5 mt -82.84 126.8 72.06 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 110.625 -0.139 . . . . 10.0 110.625 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.457 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 30.3 Cg_exo -58.89 147.83 87.32 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.509 2.14 . . . . 10.0 112.096 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 23.1 Cg_exo -63.14 -15.36 47.52 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.596 2.197 . . . . 10.0 112.222 179.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.45 -32.43 62.61 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.064 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -94.64 -1.98 52.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.124 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -90.06 105.99 18.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.604 -0.725 . . . . 10.0 112.005 -178.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 -113.63 101.97 9.83 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.642 -0.874 . . . . 10.0 108.642 177.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 23.9 mt -87.29 130.91 34.42 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.142 -177.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.479 ' HA ' ' O ' ' B' ' 48' ' ' LYS . 1.4 mp -123.38 137.77 55.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.473 -0.785 . . . . 10.0 110.908 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.464 ' HB3' HD21 ' B' ' 50' ' ' LEU . 69.5 t80 -133.54 121.7 22.51 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.721 -0.844 . . . . 10.0 108.721 178.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.25 18.23 11.16 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.605 0.566 . . . . 10.0 111.251 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.44 10.11 57.22 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 121.093 -0.575 . . . . 10.0 113.509 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.479 ' O ' ' HA ' ' B' ' 44' ' ' ILE . 8.3 mtmt -126.92 161.02 29.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 117.045 0.423 . . . . 10.0 110.769 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -85.45 152.44 23.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.825 0.345 . . . . 10.0 111.296 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.464 HD21 ' HB3' ' B' ' 45' ' ' PHE . 48.2 mt -102.68 152.3 21.37 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.235 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.408 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 0.8 OUTLIER -95.63 147.95 23.04 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.901 -0.407 . . . . 10.0 109.901 179.632 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.91 -53.0 62.64 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.844 0.354 . . . . 10.0 111.387 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.53 52.56 4.57 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.982 -0.627 . . . . 10.0 113.118 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.408 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 18.6 mmt180 -140.49 150.75 44.15 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.107 -0.331 . . . . 10.0 110.107 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 43.6 p -102.72 168.25 9.37 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.172 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.43 ' HB2' ' HA ' ' B' ' 19' ' ' PRO . 68.1 mt -66.67 -31.7 72.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.059 0.457 . . . . 10.0 110.517 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -24.88 65.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.051 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -63.91 -34.05 77.08 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.214 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -96.64 7.3 46.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.09 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 65.86 34.86 6.99 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.062 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 95.9 mt -78.41 135.43 26.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.408 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -101.59 -170.2 1.79 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.029 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.76 ' HA ' ' SD ' ' B' ' 1' ' ' MET . 55.2 pttt -75.69 146.75 39.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.13 -0.487 . . . . 10.0 111.65 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.492 ' HA ' ' O ' ' B' ' 2' ' ' GLN . 30.2 mt-10 54.31 43.79 29.96 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.654 -0.703 . . . . 10.0 112.106 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 55.8 m -88.54 162.57 16.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.039 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.1 m -106.95 133.24 51.91 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.623 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.5 mp -122.57 153.64 38.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.119 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.586 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 35.4 m170 -101.84 132.05 47.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.601 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 53.4 tp -110.91 95.62 5.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.126 0.489 . . . . 10.0 110.311 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 54.0 t -81.35 121.6 35.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.789 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 62.4 mt -86.29 126.42 34.3 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 CA-C-O 120.898 0.38 . . . . 10.0 110.95 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 C--O 1.235 0.316 0 N-CA-C 112.797 0.665 . . . . 10.0 112.797 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -70.35 -38.53 74.83 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.753 0.279 . . . . 10.0 111.753 -178.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 95.1 mt -62.42 -43.91 97.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.689 0.281 . . . . 10.0 111.009 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -62.87 -43.76 97.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.809 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -59.99 -44.07 94.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.373 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 71.0 mtm -68.54 -40.43 80.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.099 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -68.07 -29.36 68.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.791 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -58.21 -44.92 88.39 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.76 0.281 . . . . 10.0 111.76 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 463' ' ' GLN . . . . . 0.424 ' HB3' HD23 ' B' ' 8' ' ' LEU . 0.1 OUTLIER -57.22 -32.95 67.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.143 0.497 . . . . 10.0 111.409 -179.284 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 62.2 mt -75.07 -37.22 40.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.055 -0.521 . . . . 10.0 110.016 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 -64.12 -32.13 73.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.292 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -68.11 -31.17 70.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.334 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . 0.586 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 59.9 mtm -88.88 -24.68 22.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.901 0.381 . . . . 10.0 111.427 -179.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 468' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -129.15 85.5 59.53 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-O 121.163 0.506 . . . . 10.0 110.346 178.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -79.03 32.38 0.47 Allowed 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 122.66 2.24 . . . . 10.0 113.352 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.05 -2.27 2.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.755 -0.202 . . . . 10.0 111.53 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 471' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.45 130.65 22.71 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 110.458 -0.201 . . . . 10.0 110.458 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 472' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -57.66 133.57 57.35 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 122.778 2.319 . . . . 10.0 112.776 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 473' ' ' TYR . . . . . 0.422 ' CZ ' ' HA2' ' A' ' 47' ' ' GLY . 3.1 t80 -54.62 -42.86 71.69 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.664 -0.698 . . . . 10.0 112.185 -179.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 54.4 p-80 -65.69 -23.67 66.83 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.842 0.312 . . . . 10.0 111.842 -178.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 475' ' ' LEU . . . . . 0.43 ' O ' ' HB3' ' D' ' 478' ' ' GLN . 15.6 mt -78.27 -30.88 48.79 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.739 -0.467 . . . . 10.0 109.739 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 23.6 t -73.06 -40.58 58.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.725 -0.671 . . . . 10.0 109.392 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 52.0 mt -62.65 -24.76 67.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.428 179.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 478' ' ' GLN . . . . . 0.434 HE21 ' HB3' ' D' ' 478' ' ' GLN . 4.1 tt0 -65.19 -56.7 11.35 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.582 -0.735 . . . . 10.0 110.716 179.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 479' ' ' ASP . . . . . 0.654 ' HB3' HG23 ' D' ' 489' ' ' THR . 14.9 t70 -64.91 -30.42 71.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.29 -0.413 . . . . 10.0 110.72 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 480' ' ' LEU . . . . . 0.409 ' O ' ' HA ' ' D' ' 484' ' ' ARG . 0.4 OUTLIER -61.09 -23.41 65.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.846 179.314 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -94.66 -3.59 49.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.049 0.452 . . . . 10.0 110.587 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 482' ' ' LEU . . . . . 0.435 ' HA ' HD13 ' D' ' 482' ' ' LEU . 3.0 mm? -104.6 -57.87 1.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.178 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 483' ' ' THR . . . . . 0.406 ' HB ' HD12 ' D' ' 488' ' ' ILE . 80.3 p -87.57 -35.68 17.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.752 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 484' ' ' ARG . . . . . 0.409 ' HA ' ' O ' ' D' ' 480' ' ' LEU . 40.3 mtt180 64.61 17.55 10.95 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.581 -0.736 . . . . 10.0 111.166 179.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 1.6 m -138.21 122.15 17.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.356 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 16.2 m -60.85 -27.71 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.639 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -69.18 -12.8 61.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.104 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 488' ' ' ILE . . . . . 0.406 HD12 ' HB ' ' D' ' 483' ' ' THR . 34.6 mt -107.2 -46.23 7.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 489' ' ' THR . . . . . 0.654 HG23 ' HB3' ' D' ' 479' ' ' ASP . 21.8 m -54.48 -49.42 70.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.943 -0.571 . . . . 10.0 112.368 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 490' ' ' THR . . . . . 0.497 HG21 ' HE3' ' D' ' 467' ' ' MET . 3.1 m -60.33 -44.39 95.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.533 -179.101 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 491' ' ' ASP . . . . . 0.5 ' O ' ' HG2' ' D' ' 495' ' ' GLU . 28.7 t70 -68.29 -42.21 79.83 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 179.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 492' ' ' ASN . . . . . 0.422 ' HB3' ' HB3' ' D' ' 497' ' ' ARG . 17.8 m-20 -51.27 -38.8 54.75 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.415 -0.811 . . . . 10.0 111.544 178.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 92.0 mt -65.51 -43.41 94.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.821 0.343 . . . . 10.0 110.543 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 12.2 mt -66.96 -25.82 66.52 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 495' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' D' ' 491' ' ' ASP . 10.5 mm-40 -80.75 -47.48 13.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.339 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 130.45 13.71 2.05 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.477 -0.868 . . . . 10.0 112.39 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 497' ' ' ARG . . . . . 0.422 ' HB3' ' HB3' ' D' ' 492' ' ' ASN . 18.4 tpp180 -65.82 -41.98 91.16 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.756 -0.831 . . . . 10.0 108.756 178.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 4.4 mp -99.91 118.83 47.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.21 -1.033 . . . . 10.0 108.21 178.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 . . . . . 0 C--N 1.326 -0.456 0 CA-C-O 121.096 0.474 . . . . 10.0 111.301 -179.213 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.496 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 24.1 ptt? . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 110.193 -0.299 . . . . 10.0 110.193 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -95.64 143.21 27.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.743 0.306 . . . . 10.0 111.307 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.5 pt -128.37 154.08 38.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.796 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -107.18 106.32 16.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.573 -0.285 . . . . 10.0 111.037 -179.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.5 t -92.78 115.6 31.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.874 -0.417 . . . . 10.0 109.874 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.6 mttt -102.61 133.36 47.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.35 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.3 p -104.78 172.42 6.8 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.024 179.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.8 mt -58.53 -38.76 78.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.477 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.09 -10.49 59.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.775 -0.648 . . . . 10.0 112.218 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.8 0.09 62.49 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.468 -0.872 . . . . 10.0 112.73 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -69.75 117.61 11.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.878 0.37 . . . . 10.0 110.021 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -97.93 118.82 35.36 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.426 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.0 mt -109.1 126.29 66.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.69 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.23 113.5 25.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.595 179.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.5 mt -114.75 147.33 39.87 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.54 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -101.14 115.63 30.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.219 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.496 ' O ' ' HG2' ' A' ' 1' ' ' MET . 15.4 m -139.74 175.6 6.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.784 -0.644 . . . . 10.0 109.832 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.531 ' O ' HD12 ' A' ' 56' ' ' LEU . 8.5 mm-40 -127.5 156.07 75.8 Favored Pre-proline 0 C--N 1.32 -0.716 0 N-CA-C 109.281 -0.637 . . . . 10.0 109.281 179.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -51.51 -41.09 61.98 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.364 2.043 . . . . 10.0 112.93 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.62 7.43 4.57 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.737 0.644 . . . . 10.0 112.737 -178.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -80.33 158.82 25.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.914 0.388 . . . . 10.0 110.215 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 m -98.93 145.13 27.34 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.566 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.462 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 46.2 mm -55.92 -37.52 48.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.792 0.33 . . . . 10.0 110.699 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -57.8 -42.22 83.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.697 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.486 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 61.8 t30 -64.0 -36.48 84.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.115 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.7 t -62.92 -42.0 94.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.417 -0.586 . . . . 10.0 109.417 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 5.3 mmmm -61.41 -39.83 92.18 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.589 -0.732 . . . . 10.0 109.622 179.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.6 -39.05 91.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.529 -0.76 . . . . 10.0 110.768 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 58.0 mttt -65.0 -37.14 86.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.095 0.474 . . . . 10.0 110.012 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 95.8 mt -68.95 -35.35 68.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.411 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 64.8 tt0 -71.65 -29.36 64.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.99 178.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -73.16 -35.52 66.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.454 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -84.65 -62.98 1.42 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.82 -0.627 . . . . 10.0 111.725 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -77.84 -57.72 3.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.003 0.43 . . . . 10.0 111.247 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 116.98 11.45 9.1 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.677 -0.773 . . . . 10.0 112.351 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.9 mt -85.94 125.6 68.1 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.459 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 46.9 Cg_exo -55.5 142.72 80.39 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.521 2.147 . . . . 10.0 112.174 179.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 44.4 Cg_exo -56.94 -28.04 75.93 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.008 2.472 . . . . 10.0 112.958 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.32 -22.35 64.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -104.11 6.46 35.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.345 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.404 ' HB2' ' HE3' ' A' ' 27' ' ' LYS . 76.7 mt-30 -99.56 115.93 30.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.862 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -110.14 96.01 5.95 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.992 -0.373 . . . . 10.0 109.992 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.532 ' HB3' HD12 ' A' ' 50' ' ' LEU . 18.4 mt -90.95 124.55 35.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.227 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 72.6 mt -123.6 135.49 63.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.367 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -127.36 112.21 14.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.513 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.84 28.35 15.88 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.901 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.43 -18.24 57.3 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.84 -0.695 . . . . 10.0 112.826 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -94.63 125.28 39.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 122.809 -0.23 . . . . 10.0 110.474 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -73.51 134.46 43.86 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.091 -0.337 . . . . 10.0 110.091 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.532 HD12 ' HB3' ' A' ' 43' ' ' LEU . 56.7 mt -82.19 119.66 24.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.513 -179.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.421 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 59.1 mt-10 -84.21 142.15 30.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.86 178.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -65.16 -18.53 65.38 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.48 0.548 . . . . 10.0 112.48 -178.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.14 11.04 72.74 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.534 -0.841 . . . . 10.0 112.981 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.421 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 31.7 mmt180 -114.69 165.24 13.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.988 0.423 . . . . 10.0 110.677 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.5 p -104.05 175.67 5.41 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.678 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 18' ' ' GLU . 82.3 mt -72.55 -33.62 66.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.036 0.446 . . . . 10.0 110.256 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -23.13 63.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.827 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -62.25 -38.15 88.18 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.452 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -98.26 6.17 47.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.406 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 61.87 41.94 10.96 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.624 -0.716 . . . . 10.0 111.566 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 84.1 mt -83.47 122.38 37.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.561 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -104.03 -168.0 1.44 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.347 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.0 pttp -75.71 150.2 37.91 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.504 -0.316 . . . . 10.0 110.466 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 65.11 28.31 12.3 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.901 -0.591 . . . . 10.0 111.502 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.0 m -85.49 150.47 24.66 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.187 -0.301 . . . . 10.0 110.187 179.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.2 m -99.87 122.98 43.64 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.103 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -112.35 137.85 49.91 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.804 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.57 123.17 44.41 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.558 -0.292 . . . . 10.0 110.727 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.6 tp -112.82 107.01 15.47 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.994 0.426 . . . . 10.0 110.581 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.4 t -96.75 144.29 10.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.767 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 94.6 mt . . . . . 0 C--N 1.326 -0.423 0 CA-C-O 121.06 0.457 . . . . 10.0 111.465 -179.18 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.482 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 21.5 ptt? . . . . . 0 N--CA 1.482 1.161 0 N-CA-C 110.238 -0.282 . . . . 10.0 110.238 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -108.89 142.07 40.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.635 0.255 . . . . 10.0 110.883 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 21.4 pt -130.07 156.79 42.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.192 -0.67 . . . . 10.0 109.192 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -114.98 111.81 21.72 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.904 0.383 . . . . 10.0 110.905 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 46.0 t -93.4 112.83 27.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.916 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -91.92 123.39 35.25 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.035 0.445 . . . . 10.0 110.537 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.48 155.93 16.53 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.678 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 11.1 mt -58.5 -19.65 39.1 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.523 0.564 . . . . 10.0 112.523 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.11 -7.24 59.66 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.043 0.386 . . . . 10.0 112.043 -179.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.72 21.37 31.41 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.579 -0.819 . . . . 10.0 111.348 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -102.41 137.11 41.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.341 -0.429 . . . . 10.0 110.057 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -114.58 113.54 24.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.916 0.389 . . . . 10.0 110.608 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 12.2 mt -102.68 118.88 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.348 -179.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -89.58 113.52 24.96 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.946 -0.39 . . . . 10.0 109.946 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.7 mt -113.34 146.48 39.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.792 0.33 . . . . 10.0 111.575 -179.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -93.43 116.65 29.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.685 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.482 ' O ' ' HG2' ' B' ' 1' ' ' MET . 15.7 m -136.45 177.1 6.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.516 -179.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.429 ' O ' HD12 ' B' ' 56' ' ' LEU . 7.0 mm-40 -141.42 160.46 56.96 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -48.6 -39.86 37.55 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 123.209 2.606 . . . . 10.0 114.736 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 14.8 m -84.84 6.1 26.05 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.717 0.636 . . . . 10.0 112.717 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -79.11 128.25 33.04 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.865 -0.42 . . . . 10.0 109.865 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.86 149.87 43.15 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.867 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.408 HG12 ' O ' ' B' ' 54' ' ' ARG . 46.9 mm -58.07 -36.49 57.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.185 0.517 . . . . 10.0 109.802 179.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -58.64 -36.87 74.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.353 -0.839 . . . . 10.0 110.811 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -67.18 -33.66 75.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 10.0 109.981 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 24.7 t -66.63 -39.83 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 109.368 -0.605 . . . . 10.0 109.368 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.456 ' HE3' ' O ' ' B' ' 41' ' ' GLN . 2.0 mmmm -61.32 -42.14 98.19 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.628 -0.714 . . . . 10.0 109.509 179.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.04 -38.49 91.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.464 -0.789 . . . . 10.0 110.833 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -64.87 -37.41 87.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.49 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 80.4 mt -70.32 -39.85 77.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.61 -0.515 . . . . 10.0 109.61 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -65.32 -38.21 89.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.662 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -61.8 -36.52 81.36 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.596 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -88.49 -59.45 2.23 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.954 0.724 . . . . 10.0 112.954 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -77.41 -28.93 52.85 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.308 0.855 . . . . 10.0 113.308 -176.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.17 -2.45 78.85 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.592 -0.813 . . . . 10.0 112.513 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 56.0 mt -77.2 121.68 84.98 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 110.274 -0.269 . . . . 10.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.486 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 45.6 Cg_exo -55.93 140.72 86.15 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.547 2.164 . . . . 10.0 111.95 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 35.0 Cg_exo -60.95 -18.9 60.03 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.213 2.609 . . . . 10.0 113.135 -179.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -63.34 -40.81 98.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.264 -0.426 . . . . 10.0 111.99 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.428 ' OE1' ' HB2' ' B' ' 37' ' ' PRO . 21.0 mp0 -88.95 1.03 56.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.727 0.299 . . . . 10.0 111.605 -179.117 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.456 ' O ' ' HE3' ' B' ' 27' ' ' LYS . 78.4 mt-30 -87.55 110.3 20.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.455 -0.338 . . . . 10.0 111.471 -179.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.4 ' NE ' HD22 ' D' ' 494' ' ' LEU . 35.4 ttt180 -112.3 101.98 10.16 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.725 -0.843 . . . . 10.0 108.725 178.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 40.4 mt -78.75 121.38 24.67 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.16 0.505 . . . . 10.0 111.49 -178.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -111.35 152.11 13.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.313 -0.858 . . . . 10.0 109.768 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -140.59 89.78 2.3 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.828 -0.349 . . . . 10.0 111.437 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.29 41.92 25.0 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 113.25 0.833 . . . . 10.0 113.25 178.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.36 -21.45 19.53 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.091 -1.052 . . . . 10.0 112.918 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -103.12 179.63 4.22 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.51 0.195 . . . . 10.0 110.877 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -132.51 141.65 48.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.177 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 22.8 mt -92.22 146.32 23.8 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.005 -0.369 . . . . 10.0 110.005 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.487 ' HB2' ' HG2' ' B' ' 54' ' ' ARG . 35.1 mt-10 -109.61 145.29 36.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.826 0.346 . . . . 10.0 110.972 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.01 -28.02 69.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.754 -0.657 . . . . 10.0 112.532 -178.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.39 17.03 50.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.793 -0.718 . . . . 10.0 113.431 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.487 ' HG2' ' HB2' ' B' ' 51' ' ' GLU . 37.3 mmm-85 -121.57 166.26 14.48 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 122.453 -0.439 . . . . 10.0 110.2 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.517 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 76.7 p -110.95 174.75 5.71 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.165 -0.309 . . . . 10.0 110.165 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.429 HD12 ' O ' ' B' ' 18' ' ' GLU . 70.2 mt -69.15 -26.87 65.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.848 0.356 . . . . 10.0 110.668 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.1 m -73.34 -23.59 60.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.276 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.517 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.1 m-20 -58.06 -50.15 74.44 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.257 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -92.64 7.33 43.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.53 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 49.5 t30 57.82 55.83 5.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.293 -0.867 . . . . 10.0 111.22 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 87.8 mt -90.03 124.62 42.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.319 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -100.58 -168.75 1.62 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.951 0.405 . . . . 10.0 111.286 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -78.76 151.52 32.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.02 -0.537 . . . . 10.0 111.025 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 66.94 19.85 10.56 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.685 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 28.3 m -82.17 142.47 32.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.618 -0.265 . . . . 10.0 110.295 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.5 m -97.94 121.99 40.51 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.411 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mp -106.63 149.2 27.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.225 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -103.57 128.25 50.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.339 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 68.4 tp -110.22 104.6 13.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.723 0.297 . . . . 10.0 110.941 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 93.3 t -95.73 134.96 31.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.414 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 75.2 mt -98.56 117.57 33.3 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.097 -0.705 . . . . 10.0 109.097 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.599 ' HB2' ' OD1' ' D' ' 491' ' ' ASP . 1.6 ptm180 . . . . . 0 C--N 1.32 -0.683 0 CA-C-O 120.709 0.29 . . . . 10.0 110.859 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.237 0.406 0 CA-C-O 120.881 0.372 . . . . 10.0 111.295 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -73.38 -38.95 65.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.485 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 60.5 mt -62.56 -39.18 92.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.679 -0.691 . . . . 10.0 110.706 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -65.39 -45.68 83.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.82 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -59.81 -43.94 94.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.959 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 39.0 mtm -64.77 -43.81 92.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.904 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.02 -38.4 90.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.335 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -60.04 -36.8 78.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.018 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 11.0 tp60 -66.25 -34.56 78.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.859 0.361 . . . . 10.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 464' ' ' ILE . . . . . 0.485 ' HA ' ' HE2' ' D' ' 467' ' ' MET . 72.7 mt -71.2 -32.1 46.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.079 0.466 . . . . 10.0 110.258 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -62.11 -31.34 71.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.41 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -70.16 -28.31 65.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.839 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . 0.485 ' HE2' ' HA ' ' D' ' 464' ' ' ILE . 58.5 mtm -85.28 -44.84 12.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.611 -178.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 468' ' ' PHE . . . . . 0.573 ' O ' HG12 ' D' ' 471' ' ' VAL . 1.4 m-30 -114.94 86.65 13.77 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 116.33 -0.395 . . . . 10.0 110.185 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 469' ' ' PRO . . . . . 0.482 ' HD3' ' O ' ' D' ' 467' ' ' MET . 8.6 Cg_exo -71.56 9.81 0.9 Allowed 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 123.037 2.492 . . . . 10.0 113.29 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -119.4 6.59 11.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.537 -0.301 . . . . 10.0 111.608 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 471' ' ' VAL . . . . . 0.573 HG12 ' O ' ' D' ' 468' ' ' PHE . 8.0 p -102.5 134.38 19.97 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 120.637 0.256 . . . . 10.0 111.111 -179.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 472' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' D' ' 471' ' ' VAL . 23.2 Cg_exo -65.99 126.5 15.97 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.518 2.145 . . . . 10.0 111.682 178.211 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -53.45 -42.81 67.54 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.809 0.67 . . . . 10.0 112.809 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -63.67 -29.56 70.78 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.636 0.236 . . . . 10.0 111.636 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 475' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' D' ' 475' ' ' LEU . 16.1 mt -74.34 -33.54 63.17 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 21.3 t -67.59 -41.44 85.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.338 -0.616 . . . . 10.0 109.338 178.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . 0.496 ' O ' ' HG3' ' D' ' 481' ' ' GLN . 26.6 mt -65.26 -26.56 68.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.572 -0.74 . . . . 10.0 110.768 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -63.16 -52.47 62.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 479' ' ' ASP . . . . . 0.605 ' HB3' HG23 ' D' ' 489' ' ' THR . 12.6 t70 -67.12 -34.77 78.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.405 -0.362 . . . . 10.0 110.393 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 480' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' D' ' 480' ' ' LEU . 0.4 OUTLIER -58.5 -26.62 63.65 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.219 179.68 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 481' ' ' GLN . . . . . 0.496 ' HG3' ' O ' ' D' ' 477' ' ' LEU . 65.1 mt-30 -81.58 -23.02 37.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.174 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 482' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' D' ' 482' ' ' LEU . 3.5 mm? -93.56 -54.89 3.47 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.233 0.457 . . . . 10.0 112.233 -178.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 70.3 p -87.61 -39.43 15.07 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.263 0.468 . . . . 10.0 112.263 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 64.68 30.35 12.56 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.269 0.557 . . . . 10.0 110.38 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 11.3 m -146.95 119.76 8.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.216 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 486' ' ' VAL . . . . . 0.414 HG12 HD11 ' D' ' 464' ' ' ILE . 2.7 m -57.07 -34.08 44.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 112.197 0.443 . . . . 10.0 112.197 -179.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -60.93 -47.01 88.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.012 0.434 . . . . 10.0 110.337 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 16.5 mt -73.77 -42.56 54.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.716 -0.674 . . . . 10.0 110.802 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 489' ' ' THR . . . . . 0.605 HG23 ' HB3' ' D' ' 479' ' ' ASP . 90.8 m -55.53 -54.11 48.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.42 -0.355 . . . . 10.0 111.855 -179.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 1.4 m -64.98 -36.9 85.87 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.978 -0.289 . . . . 10.0 111.51 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 491' ' ' ASP . . . . . 0.599 ' OD1' ' HB2' ' B' ' 72' ' ' ARG . 23.0 t70 -66.83 -43.75 82.92 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.704 -0.48 . . . . 10.0 109.704 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -56.96 -44.58 82.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.231 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 89.8 mt -67.36 -43.18 87.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.844 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 494' ' ' LEU . . . . . 0.4 HD22 ' NE ' ' B' ' 42' ' ' ARG . 0.1 OUTLIER -66.69 -30.43 70.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.471 -0.331 . . . . 10.0 111.423 -179.674 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -80.67 -40.7 25.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.308 -0.405 . . . . 10.0 111.377 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 123.58 28.43 1.3 Allowed Glycine 0 CA--C 1.518 0.253 0 C-N-CA 120.294 -0.955 . . . . 10.0 113.263 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -68.24 -27.64 66.53 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.265 0.555 . . . . 10.0 109.983 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 2.9 mp -118.65 123.61 71.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.215 -0.902 . . . . 10.0 108.739 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 . . . . . 0 C--N 1.324 -0.538 0 CA-C-O 121.18 0.514 . . . . 10.0 111.644 -179.585 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.595 0.236 . . . . 10.0 110.368 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -108.09 142.01 38.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.622 -0.263 . . . . 10.0 110.635 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.2 pt -127.28 153.36 36.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.334 -0.394 . . . . 10.0 109.948 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -110.97 103.18 11.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.254 0.55 . . . . 10.0 111.065 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.1 t -92.68 120.48 42.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.686 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -105.24 127.95 53.19 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.238 0.542 . . . . 10.0 111.377 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.36 154.19 18.71 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.594 -0.73 . . . . 10.0 109.349 178.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.5 mt -72.58 54.89 0.35 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.077 0.465 . . . . 10.0 111.776 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.51 23.72 0.12 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.181 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.39 38.69 95.21 Favored Glycine 0 C--N 1.334 0.437 0 C-N-CA 121.008 -0.615 . . . . 10.0 112.059 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -118.95 131.29 56.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.509 0.195 . . . . 10.0 110.713 -178.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.0 m -118.8 124.22 46.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.858 0.361 . . . . 10.0 110.661 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.3 mt -118.15 124.89 73.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.081 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -96.96 109.2 21.99 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.855 0.36 . . . . 10.0 110.308 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.2 mt -108.28 153.78 22.74 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.803 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -98.82 126.38 44.45 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.911 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.1 m -143.82 175.11 3.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.218 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 4.7 mm-40 -135.67 164.6 42.29 Favored Pre-proline 0 C--N 1.317 -0.836 0 N-CA-C 108.691 -0.855 . . . . 10.0 108.691 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -53.44 -37.39 81.94 Favored 'Trans proline' 0 CA--C 1.534 0.48 0 C-N-CA 122.267 1.978 . . . . 10.0 112.958 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.09 3.37 30.83 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.417 0.525 . . . . 10.0 112.417 -179.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.7 OUTLIER -73.07 129.1 37.33 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 109.65 -0.5 . . . . 10.0 109.65 179.681 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.424 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -80.81 147.92 30.23 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.868 -179.462 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.616 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 49.6 mm -58.11 -41.42 80.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.053 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -58.48 -38.71 78.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.675 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.487 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 65.9 t30 -68.21 -36.37 79.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.041 179.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 22' ' ' THR . 59.1 t -63.28 -37.58 79.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.956 -0.565 . . . . 10.0 109.737 179.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.616 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 6.7 mmmm -61.36 -40.01 92.72 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.716 -0.675 . . . . 10.0 109.972 179.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.98 -38.83 89.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.505 -0.77 . . . . 10.0 110.796 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.487 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 52.2 mttt -61.02 -39.67 90.63 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.124 0.488 . . . . 10.0 110.15 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 68.9 mt -70.19 -39.09 76.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.882 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -64.4 -30.69 71.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.796 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -76.69 -38.04 55.11 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.134 0.42 . . . . 10.0 112.134 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -87.04 -37.13 17.75 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.965 0.728 . . . . 10.0 112.965 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -99.72 -33.45 10.58 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.3 0.482 . . . . 10.0 112.3 -178.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.94 0.15 68.84 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.519 -0.848 . . . . 10.0 112.017 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.6 mt -77.94 127.7 81.06 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 110.298 -0.26 . . . . 10.0 110.298 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 18.2 Cg_endo -61.11 136.63 66.28 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.438 2.092 . . . . 10.0 112.288 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.4 Cg_exo -58.75 -24.7 72.68 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.808 2.339 . . . . 10.0 112.629 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.52 -22.64 67.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.949 -0.568 . . . . 10.0 111.691 -179.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -108.41 5.38 25.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.868 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.485 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 79.6 mt-30 -94.66 111.67 23.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.05 -179.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.7 mtt180 -112.28 99.84 8.34 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.912 -0.403 . . . . 10.0 109.912 178.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.7 mt -85.48 120.07 26.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.816 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -114.14 132.62 62.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.385 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -125.17 109.83 13.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.079 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.83 15.77 9.31 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.53 -0.759 . . . . 10.0 111.993 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.529 ' HA2' ' HB3' ' D' ' 473' ' ' TYR . . . 114.33 -31.4 6.46 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.599 -0.81 . . . . 10.0 112.725 179.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -84.09 137.91 33.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.887 0.375 . . . . 10.0 110.4 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -82.59 135.94 34.94 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.565 -0.531 . . . . 10.0 109.565 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.9 mt -80.41 133.56 35.9 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.429 -0.35 . . . . 10.0 110.596 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.515 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 3.0 mt-10 -86.38 144.14 27.48 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 179.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.41 -45.95 80.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.928 -0.578 . . . . 10.0 112.333 -178.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.45 43.29 3.18 Favored Glycine 0 CA--C 1.516 0.109 0 C-N-CA 120.758 -0.734 . . . . 10.0 114.234 -178.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.515 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 30.3 mmt180 -133.51 167.48 20.38 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.608 -0.516 . . . . 10.0 109.608 179.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.2 p -109.77 169.38 8.75 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.901 -0.407 . . . . 10.0 109.901 178.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.438 HD12 ' O ' ' A' ' 18' ' ' GLU . 63.4 mt -65.87 -31.62 72.66 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.109 0.48 . . . . 10.0 110.66 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.26 -20.48 63.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.23 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -70.08 -19.75 63.25 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.198 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -116.19 8.29 14.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.603 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t30 63.7 31.76 14.18 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.556 -0.747 . . . . 10.0 111.456 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.1 mt -76.76 122.98 32.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.11 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -111.36 -168.32 1.29 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.532 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -71.42 150.4 45.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.783 0.325 . . . . 10.0 111.491 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 66.2 15.35 10.05 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.418 -0.81 . . . . 10.0 112.413 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.9 m -78.01 139.36 39.12 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.904 0.383 . . . . 10.0 110.248 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.84 130.76 37.55 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.691 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.3 mp -120.44 141.29 50.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.226 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.2 m80 -95.59 121.89 37.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.361 -0.382 . . . . 10.0 111.15 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.6 tp -100.02 97.51 8.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.202 0.525 . . . . 10.0 110.043 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.4 HG13 ' HB2' ' D' ' 469' ' ' PRO . 25.6 t -88.73 134.99 26.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.381 -0.827 . . . . 10.0 110.752 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.6 mt . . . . . 0 C--N 1.325 -0.499 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 179.044 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.482 1.153 0 N-CA-C 109.914 -0.402 . . . . 10.0 109.914 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -100.84 135.0 42.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.604 0.24 . . . . 10.0 110.678 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 28.0 pt -125.6 153.37 33.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -116.7 110.92 19.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.782 0.325 . . . . 10.0 110.714 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 15.7 t -98.47 113.75 34.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.071 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -96.59 136.82 36.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.868 0.366 . . . . 10.0 110.468 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.8 p -105.76 168.39 9.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.917 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.569 HD22 ' HB ' ' D' ' 486' ' ' VAL . 13.2 mt -61.9 -22.15 65.33 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.057 0.456 . . . . 10.0 110.923 178.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.84 -12.21 60.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.833 -0.621 . . . . 10.0 111.734 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.91 -3.0 62.18 Favored Glycine 0 C--N 1.329 0.16 0 C-N-CA 121.018 -0.61 . . . . 10.0 112.444 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -76.69 138.17 39.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.772 0.32 . . . . 10.0 110.953 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.9 m -111.68 107.53 16.67 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.346 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.2 mt -91.16 130.2 40.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.521 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m -99.77 131.58 45.66 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.552 -0.536 . . . . 10.0 109.552 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 88.9 mt -132.11 129.72 40.27 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.837 0.351 . . . . 10.0 111.124 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -87.17 90.76 8.48 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.492 HG12 ' HE3' ' B' ' 29' ' ' LYS . 33.7 m -114.01 179.9 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.696 -0.683 . . . . 10.0 110.693 -178.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -133.69 154.04 80.42 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 109.295 -0.632 . . . . 10.0 109.295 179.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -53.33 -37.55 81.3 Favored 'Trans proline' 0 N--CA 1.472 0.257 0 C-N-CA 122.761 2.308 . . . . 10.0 113.064 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -6.66 49.11 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 112.789 0.663 . . . . 10.0 112.789 -178.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -76.49 151.28 36.47 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.848 -0.427 . . . . 10.0 109.848 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.479 ' O ' HG23 ' B' ' 26' ' ' VAL . 3.2 p -94.44 151.95 18.97 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.691 -178.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.3 mm -59.14 -37.87 70.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.261 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.27 -42.95 92.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.593 178.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.4 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 57.8 t30 -69.52 -33.69 73.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.57 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.479 HG23 ' O ' ' B' ' 22' ' ' THR . 82.7 t -62.47 -42.81 97.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 178.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -63.96 -33.08 74.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.763 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.64 -35.47 80.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.093 0.473 . . . . 10.0 110.316 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.492 ' HE3' HG12 ' B' ' 17' ' ' VAL . 35.4 mttm -67.78 -37.04 81.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.188 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 69.5 mt -67.66 -29.21 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.635 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.531 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 62.4 tt0 -72.75 -29.89 63.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.84 178.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -78.38 -42.46 30.26 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.818 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.2 mttt -74.81 -68.1 0.58 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.957 0.408 . . . . 10.0 111.087 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -73.13 -58.9 2.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.942 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.531 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 113.29 25.38 4.41 Favored Glycine 0 C--N 1.32 -0.312 0 C-N-CA 120.622 -0.799 . . . . 10.0 111.937 -178.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 43.2 mt -96.97 129.31 32.77 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.76 -0.22 . . . . 10.0 110.494 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.473 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 42.9 Cg_exo -56.81 133.84 60.63 Favored 'Trans proline' 0 CA--C 1.53 0.302 0 C-N-CA 122.185 1.923 . . . . 10.0 111.71 179.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 37.7 Cg_exo -60.25 -15.02 32.31 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.865 2.376 . . . . 10.0 112.973 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -78.0 -25.12 47.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.801 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -102.21 -2.88 28.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.608 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -83.41 106.42 15.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.801 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.491 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 7.8 mtp180 -100.81 93.16 5.4 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.546 -0.538 . . . . 10.0 109.546 179.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 15.1 mt -79.91 128.02 32.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.492 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.2 mp -126.57 137.12 58.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.603 -0.726 . . . . 10.0 109.577 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -129.63 107.28 9.32 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.595 -0.521 . . . . 10.0 109.595 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.5 19.55 11.84 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.997 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.64 -19.19 21.83 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.588 -0.815 . . . . 10.0 113.877 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -108.98 145.91 34.73 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 117.229 0.514 . . . . 10.0 111.455 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -74.72 160.31 30.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.974 -0.557 . . . . 10.0 111.455 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 38.6 mt -111.74 130.43 55.79 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.486 -0.779 . . . . 10.0 109.657 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -78.32 145.36 35.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.752 0.31 . . . . 10.0 110.984 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.19 -51.83 66.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.846 -0.615 . . . . 10.0 111.967 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.61 50.76 4.46 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 121.067 -0.587 . . . . 10.0 113.647 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 84.2 mmt-85 -135.28 155.96 49.76 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.077 -0.342 . . . . 10.0 110.077 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.57 156.77 16.63 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.29 179.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.2 mt -65.36 -31.16 72.13 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.865 0.364 . . . . 10.0 110.627 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.61 -23.17 62.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.088 -0.506 . . . . 10.0 111.175 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -70.59 -29.8 66.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.939 0.4 . . . . 10.0 110.495 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -96.73 6.57 48.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 58.7 t30 63.21 27.64 15.62 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.49 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 67.8 mt -77.08 98.2 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 110.065 -0.346 . . . . 10.0 110.065 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -84.41 -168.83 2.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.75 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -75.7 147.9 39.03 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.424 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 66.9 25.12 9.53 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.35 -0.841 . . . . 10.0 111.963 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.7 m -88.98 143.94 26.51 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.568 -0.287 . . . . 10.0 110.384 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 18.2 m -93.83 123.83 37.44 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.956 0.408 . . . . 10.0 111.24 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -108.1 148.82 29.28 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.028 -0.731 . . . . 10.0 109.028 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.462 ' CD2' ' HG2' ' D' ' 467' ' ' MET . 37.6 m80 -106.63 126.6 52.48 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.851 0.358 . . . . 10.0 110.625 -179.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 60.6 tp -110.51 100.06 8.94 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.924 0.392 . . . . 10.0 110.25 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.491 ' HB ' ' HB2' ' B' ' 42' ' ' ARG . 90.5 t -83.64 130.23 36.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.5 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 22.7 mt -84.42 151.68 24.5 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.494 -0.558 . . . . 10.0 109.494 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 54.4 ttt-85 . . . . . 0 C--N 1.326 -0.413 0 CA-C-O 120.796 0.331 . . . . 10.0 111.609 -178.825 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.718 0.294 . . . . 10.0 111.661 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -65.39 -38.63 90.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 10.0 110.646 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.96 -42.67 99.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.504 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -66.02 -41.45 90.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.852 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.35 -45.55 90.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.452 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 58.3 mtm -64.54 -41.43 96.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.64 -37.16 86.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.031 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -57.09 -45.52 83.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.843 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 463' ' ' GLN . . . . . 0.403 ' NE2' ' HA ' ' D' ' 463' ' ' GLN . 9.6 tp60 -58.72 -32.34 69.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.878 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 464' ' ' ILE . . . . . 0.418 HD11 HG12 ' D' ' 486' ' ' VAL . 62.3 mt -77.69 -36.55 22.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.283 179.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 40.3 tp60 -63.35 -32.41 73.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.296 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -69.44 -24.72 63.86 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.924 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . 0.462 ' HG2' ' CD2' ' B' ' 68' ' ' HIS . 66.8 mtm -92.87 -37.54 12.22 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.704 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 468' ' ' PHE . . . . . 0.474 ' O ' HG12 ' D' ' 471' ' ' VAL . 17.6 m-85 -118.22 98.56 51.49 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.084 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 469' ' ' PRO . . . . . 0.4 ' HB2' HG13 ' A' ' 70' ' ' VAL . 73.5 Cg_endo -78.44 -0.17 10.47 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.708 2.272 . . . . 10.0 112.999 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -119.09 28.7 8.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.577 -0.283 . . . . 10.0 111.583 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 471' ' ' VAL . . . . . 0.474 HG12 ' O ' ' D' ' 468' ' ' PHE . 7.7 p -117.72 132.29 23.7 Favored Pre-proline 0 C--N 1.324 -0.501 0 C-N-CA 121.059 -0.256 . . . . 10.0 110.533 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 472' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' D' ' 471' ' ' VAL . 24.3 Cg_exo -65.8 117.75 4.9 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.35 2.033 . . . . 10.0 111.612 178.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 473' ' ' TYR . . . . . 0.529 ' HB3' ' HA2' ' A' ' 47' ' ' GLY . 33.0 t80 -51.86 -42.02 62.32 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.762 -0.654 . . . . 10.0 112.596 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -66.22 -29.99 70.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.558 0.218 . . . . 10.0 111.303 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 475' ' ' LEU . . . . . 0.432 HD12 ' HG2' ' D' ' 472' ' ' PRO . 13.7 mt -74.65 -33.93 62.63 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.744 -0.465 . . . . 10.0 109.744 179.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 476' ' ' VAL . . . . . 0.419 HG23 ' O ' ' D' ' 472' ' ' PRO . 37.1 t -64.99 -41.26 91.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.298 -0.63 . . . . 10.0 109.298 178.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 81.9 mt -64.04 -28.65 69.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.577 -0.738 . . . . 10.0 110.55 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -71.64 -51.3 23.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.376 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 479' ' ' ASP . . . . . 0.491 ' HB3' HG23 ' D' ' 489' ' ' THR . 11.4 t70 -62.03 -37.56 85.38 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.959 -0.385 . . . . 10.0 109.959 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 480' ' ' LEU . . . . . 0.412 ' O ' ' HA ' ' D' ' 484' ' ' ARG . 0.2 OUTLIER -59.82 -22.78 62.7 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.846 -0.615 . . . . 10.0 111.134 179.317 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -91.08 -16.75 27.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.62 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -93.63 -51.86 4.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.959 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 65.1 p -88.49 -38.35 15.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.078 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 484' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' D' ' 480' ' ' LEU . 4.3 mtt180 65.03 31.63 11.02 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.561 -0.745 . . . . 10.0 111.587 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.39 120.96 4.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.202 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 486' ' ' VAL . . . . . 0.569 ' HB ' HD22 ' B' ' 8' ' ' LEU . 6.5 m -62.24 -26.01 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.221 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -75.61 0.57 17.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.237 0.541 . . . . 10.0 110.838 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 67.6 mt -121.87 -41.05 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.592 178.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 489' ' ' THR . . . . . 0.491 HG23 ' HB3' ' D' ' 479' ' ' ASP . 81.6 m -57.3 -57.5 12.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 10.0 111.933 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.16 -40.03 80.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.997 0.427 . . . . 10.0 110.954 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -66.99 -43.41 83.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.91 -0.587 . . . . 10.0 110.201 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -54.36 -34.5 61.28 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.453 179.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 493' ' ' ILE . . . . . 0.423 HG13 ' O ' ' D' ' 489' ' ' THR . 54.5 mt -71.13 -45.07 73.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.036 0.446 . . . . 10.0 110.297 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 494' ' ' LEU . . . . . 0.452 HD21 ' HZ ' ' D' ' 468' ' ' PHE . 5.8 mt -66.91 -36.36 82.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.723 -0.672 . . . . 10.0 111.43 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -71.22 -47.2 58.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.526 -0.306 . . . . 10.0 110.467 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 127.69 93.94 0.82 Allowed Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.686 -0.768 . . . . 10.0 112.406 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -159.12 -49.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.912 0.387 . . . . 10.0 110.056 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 1.9 mp -69.37 136.02 27.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.771 -0.649 . . . . 10.0 109.984 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.915 -179.797 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.655 0.264 . . . . 10.0 110.626 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 -106.97 137.34 45.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.407 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.5 pt -125.49 164.82 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.636 -0.256 . . . . 10.0 110.332 178.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -119.68 126.32 50.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.895 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.4 t -116.02 124.07 71.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.491 -0.559 . . . . 10.0 109.491 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.504 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 38.2 ttmt -107.75 127.47 53.72 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.995 0.426 . . . . 10.0 111.69 -178.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.75 176.1 7.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.824 179.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 92.3 mt -65.58 -19.99 66.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.387 -0.37 . . . . 10.0 111.699 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.54 0.12 47.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.799 0.333 . . . . 10.0 111.418 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.33 22.74 62.17 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.688 -0.768 . . . . 10.0 111.611 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.504 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 80.7 tttt -95.81 126.17 40.89 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.209 -0.293 . . . . 10.0 110.209 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -105.1 115.78 30.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.015 0.436 . . . . 10.0 110.799 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.0 mt -104.76 137.72 32.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.524 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.4 m -98.11 127.27 43.96 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.97 -0.382 . . . . 10.0 109.97 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.4 mt -124.05 148.92 46.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.749 0.309 . . . . 10.0 111.435 -179.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -98.07 117.37 32.28 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.357 -0.609 . . . . 10.0 109.357 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.9 m -142.19 173.26 7.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.189 -0.459 . . . . 10.0 110.94 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.497 ' O ' HD12 ' A' ' 56' ' ' LEU . 19.0 mm-40 -130.22 155.16 81.26 Favored Pre-proline 0 C--N 1.321 -0.65 0 N-CA-C 108.861 -0.792 . . . . 10.0 108.861 178.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.18 -30.11 59.58 Favored 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 122.683 2.255 . . . . 10.0 112.965 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 p -81.1 -2.21 47.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.304 -0.407 . . . . 10.0 112.061 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 3.0 t0 -73.45 147.5 44.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.032 0.444 . . . . 10.0 111.106 -179.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.29 146.49 23.67 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.518 -0.765 . . . . 10.0 110.665 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.438 HG12 ' O ' ' A' ' 54' ' ' ARG . 39.1 mm -56.83 -41.2 75.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 10.0 110.856 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -58.71 -38.79 79.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.619 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.4 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 65.5 t30 -69.74 -34.81 74.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.961 0.41 . . . . 10.0 110.416 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.5 t -62.86 -43.11 98.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.505 -0.554 . . . . 10.0 109.505 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -65.53 -34.23 77.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.952 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.43 -35.08 79.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.925 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 89.6 mttt -69.84 -35.61 74.88 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.611 178.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.4 mt -69.12 -35.38 68.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 116.033 -0.53 . . . . 10.0 109.794 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -64.78 -28.23 69.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.769 -0.651 . . . . 10.0 110.643 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -81.6 -21.31 38.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.049 0.452 . . . . 10.0 110.964 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -91.46 -50.28 5.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.709 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -93.59 -41.64 9.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.736 -178.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.5 -2.12 36.89 Favored Glycine 0 C--N 1.321 -0.251 0 C-N-CA 120.652 -0.785 . . . . 10.0 111.54 -178.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 29.4 mt -75.07 129.22 83.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.433 -0.384 . . . . 10.0 110.846 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 23.2 Cg_exo -63.39 145.12 92.32 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.474 2.116 . . . . 10.0 111.837 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 34.2 Cg_exo -60.52 -19.28 58.79 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.72 2.28 . . . . 10.0 112.2 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.09 -28.61 69.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.233 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -109.3 15.05 23.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.683 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -103.32 106.47 16.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.5 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -111.23 102.97 11.35 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.543 -0.54 . . . . 10.0 109.543 178.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.2 mt -86.37 125.67 33.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.197 0.522 . . . . 10.0 111.428 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 56.5 mt -122.16 124.55 71.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.147 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -109.52 102.62 11.47 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.863 0.363 . . . . 10.0 110.889 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.78 32.41 21.86 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.569 -0.742 . . . . 10.0 112.326 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.75 -20.99 43.96 Favored Glycine 0 C--O 1.229 -0.211 0 C-N-CA 120.601 -0.809 . . . . 10.0 112.415 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.8 mtmt -92.73 111.87 23.63 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.147 -0.316 . . . . 10.0 110.147 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.52 136.01 50.84 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.092 -0.336 . . . . 10.0 110.092 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.408 HD13 HD12 ' A' ' 23' ' ' ILE . 22.1 mt -87.79 144.91 26.36 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.763 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.503 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 0.4 OUTLIER -102.2 137.67 40.16 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.457 -0.572 . . . . 10.0 109.457 179.089 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -49.06 -45.52 43.11 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.02 0.748 . . . . 10.0 113.02 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.12 33.74 3.11 Favored Glycine 0 CA--C 1.52 0.393 0 C-N-CA 121.056 -0.592 . . . . 10.0 114.186 -178.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.503 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 22.0 mmt180 -127.26 165.13 20.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 117.159 0.48 . . . . 10.0 110.068 179.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.467 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 58.7 p -107.48 169.44 8.58 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.56 -0.291 . . . . 10.0 110.576 179.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 18' ' ' GLU . 95.9 mt -67.08 -29.29 69.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.157 0.503 . . . . 10.0 110.183 179.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.4 m -73.15 -17.77 61.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.741 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.467 ' HB2' ' O ' ' A' ' 55' ' ' THR . 2.6 m-20 -68.17 -28.19 67.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.994 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -112.08 5.85 18.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.758 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 t30 60.13 48.81 7.99 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.689 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 82.0 mt -86.73 111.18 21.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.749 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -91.54 -171.89 3.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.85 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.4 pttt -74.17 151.09 40.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 68.05 18.16 9.46 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.709 -0.678 . . . . 10.0 112.394 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.6 m -78.98 147.48 32.92 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.911 -0.316 . . . . 10.0 110.166 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 m -105.59 118.54 36.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.133 0.492 . . . . 10.0 111.324 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -105.75 144.36 32.6 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.646 -0.706 . . . . 10.0 109.285 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -104.09 133.7 48.58 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 110.108 -0.33 . . . . 10.0 110.108 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.0 tp -112.59 112.38 23.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.957 0.408 . . . . 10.0 110.908 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.6 t -105.11 136.6 38.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.936 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 71.8 mt . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.654 -179.89 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptt? . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 120.616 0.246 . . . . 10.0 110.449 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -98.97 128.44 45.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.64 -0.255 . . . . 10.0 110.433 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 36.9 pt -117.66 164.04 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.151 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.41 ' O ' ' HA ' ' B' ' 66' ' ' THR . 85.8 m-85 -123.56 121.91 36.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.036 0.446 . . . . 10.0 111.117 -179.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 84.4 t -100.5 119.76 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.15 -0.477 . . . . 10.0 109.778 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 10.1 tttp -97.46 127.65 43.6 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.143 0.497 . . . . 10.0 110.769 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.95 156.5 17.97 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.609 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 56.8 mt -64.43 -14.22 55.6 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.881 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.04 10.0 20.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.156 -0.475 . . . . 10.0 111.216 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.17 42.93 49.32 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.665 -0.779 . . . . 10.0 111.276 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 32.4 tttp -120.02 145.0 47.23 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.629 -0.285 . . . . 10.0 110.453 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -125.96 96.49 4.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.01 0.433 . . . . 10.0 110.512 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 53.7 mt -85.89 135.99 23.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.468 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 3.6 m -100.48 122.2 42.81 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.206 -0.294 . . . . 10.0 110.206 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 53.3 mt -115.08 135.97 53.63 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.219 0.533 . . . . 10.0 111.246 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -97.05 101.27 12.8 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.386 -0.825 . . . . 10.0 108.915 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 6.8 m -134.81 175.04 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.152 0.501 . . . . 10.0 111.63 -178.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.494 ' O ' HD12 ' B' ' 56' ' ' LEU . 25.2 mm-40 -127.32 154.27 77.1 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.439 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 53.1 Cg_exo -54.64 -27.92 53.6 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.739 2.293 . . . . 10.0 113.01 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.37 -12.59 60.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.103 -0.498 . . . . 10.0 112.02 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -75.28 152.55 38.23 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.898 0.38 . . . . 10.0 110.325 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.492 ' O ' HG23 ' B' ' 26' ' ' VAL . 18.1 p -96.73 152.04 19.06 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.159 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 41.7 mm -55.55 -40.03 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.43 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -58.96 -43.12 91.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.609 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -71.28 -24.71 62.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.587 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.492 HG23 ' O ' ' B' ' 22' ' ' THR . 94.6 t -72.7 -43.55 61.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 178.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.421 ' HD2' ' HB2' ' B' ' 41' ' ' GLN . 49.3 mtmt -62.91 -34.05 76.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.506 179.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.16 -33.87 75.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.672 179.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -69.82 -36.8 75.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.937 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 56.8 mt -69.38 -32.64 54.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 109.284 -0.635 . . . . 10.0 109.284 178.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.416 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 53.0 tt0 -69.22 -32.35 71.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.509 -0.769 . . . . 10.0 109.977 178.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -74.27 -40.54 62.25 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.562 179.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -73.47 -62.41 1.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.95 -0.568 . . . . 10.0 112.461 -179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -83.41 -46.37 12.61 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.261 0.467 . . . . 10.0 112.261 -178.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 108.98 9.48 26.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.468 -0.872 . . . . 10.0 112.169 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.0 mt -84.11 126.08 70.89 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 110.471 -0.196 . . . . 10.0 110.471 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 52.2 Cg_exo -54.71 139.31 77.1 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.791 2.328 . . . . 10.0 112.115 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 24.3 Cg_exo -61.73 -17.2 53.45 Favored 'Trans proline' 0 CA--C 1.533 0.436 0 C-N-CA 122.773 2.316 . . . . 10.0 112.758 -179.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -69.96 -33.22 71.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.1 0.476 . . . . 10.0 110.68 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -92.39 -4.34 53.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.689 -0.687 . . . . 10.0 110.68 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.421 ' HB2' ' HD2' ' B' ' 27' ' ' LYS . 68.2 mt-30 -87.47 103.38 15.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.425 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -107.76 100.5 9.87 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.566 -0.531 . . . . 10.0 109.566 178.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 75.5 mt -86.99 124.47 33.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.043 0.449 . . . . 10.0 111.281 -179.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mp -118.37 134.43 61.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.646 -0.706 . . . . 10.0 109.955 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.663 ' HB3' HD21 ' B' ' 50' ' ' LEU . 59.9 t80 -131.45 126.33 34.78 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.085 -0.507 . . . . 10.0 109.71 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.31 23.45 13.68 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.745 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.93 9.41 67.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.854 -0.688 . . . . 10.0 113.057 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -125.31 143.63 50.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.666 0.233 . . . . 10.0 110.389 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -80.4 145.13 32.14 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.85 0.357 . . . . 10.0 110.838 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.663 HD21 ' HB3' ' B' ' 45' ' ' PHE . 13.4 mt -98.63 143.09 29.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.069 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.402 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 34.4 mt-10 -91.86 148.28 22.34 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.01 -0.367 . . . . 10.0 110.01 179.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.38 -50.83 72.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.057 -0.52 . . . . 10.0 112.053 -179.18 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.17 54.0 4.82 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 121.179 -0.534 . . . . 10.0 113.392 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.402 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 37.1 mmt180 -141.61 158.86 43.3 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 179.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.448 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 76.5 p -99.77 163.51 12.44 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.72 -0.474 . . . . 10.0 109.72 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.494 HD12 ' O ' ' B' ' 18' ' ' GLU . 89.4 mt -64.5 -32.12 73.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.1 0.476 . . . . 10.0 110.149 179.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.65 -23.79 63.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.791 -0.64 . . . . 10.0 111.361 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' B' ' 55' ' ' THR . 3.8 m-20 -62.27 -38.3 88.78 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.967 0.413 . . . . 10.0 111.551 -179.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -99.12 12.88 34.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.726 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 59.87 36.3 21.87 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.064 0.459 . . . . 10.0 110.913 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 81.7 mt -77.26 124.39 35.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.402 -0.592 . . . . 10.0 109.402 179.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -113.2 -170.79 1.75 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.27 0.557 . . . . 10.0 111.722 -178.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 44.9 pttt -68.97 145.18 53.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.391 -0.822 . . . . 10.0 110.753 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 63.15 14.98 8.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.584 -0.734 . . . . 10.0 112.976 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 73.1 m -78.25 144.96 35.74 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 4.5 m -94.18 126.63 39.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.292 0.568 . . . . 10.0 112.286 -178.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 mp -107.44 115.89 30.96 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.673 -0.862 . . . . 10.0 108.673 178.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.5 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 42.7 m80 -79.39 120.63 24.09 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.722 0.296 . . . . 10.0 110.732 -179.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 54.4 tp -98.99 105.39 17.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.889 0.376 . . . . 10.0 110.586 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.445 HG13 ' HB ' ' D' ' 490' ' ' THR . 93.6 t -92.63 131.88 38.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.134 179.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 46.0 mt -97.01 109.99 22.63 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.111 -0.329 . . . . 10.0 110.111 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.42 ' HA ' ' CG ' ' D' ' 491' ' ' ASP . 12.9 ttm180 . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.382 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.926 0.393 . . . . 10.0 111.332 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -68.52 -34.52 76.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 10.0 110.904 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 74.7 mt -63.31 -46.86 84.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.033 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 -63.68 -40.28 96.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.055 -0.521 . . . . 10.0 110.724 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.27 -45.89 91.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.847 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 71.6 mtm -66.24 -35.73 81.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.649 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.92 -34.23 77.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.486 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 61.4 t60 -60.62 -37.81 82.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.079 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -63.66 -34.55 78.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.655 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 72.1 mt -74.74 -33.03 29.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.32 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -65.59 -22.0 66.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.999 0.428 . . . . 10.0 110.329 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -77.39 -20.81 54.12 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.969 -0.559 . . . . 10.0 109.893 178.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . 0.5 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 35.2 mmm -96.8 -48.04 5.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.534 -0.757 . . . . 10.0 110.083 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 468' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -124.57 91.87 48.81 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.761 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -85.96 20.21 1.27 Allowed 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.424 2.082 . . . . 10.0 112.039 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -118.76 18.95 13.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.2 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 471' ' ' VAL . . . . . . . . . . . . . 7.5 p -126.75 128.71 24.21 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 109.965 -0.384 . . . . 10.0 109.965 179.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 472' ' ' PRO . . . . . 0.463 ' HB3' ' CE1' ' D' ' 474' ' ' HIS . 52.2 Cg_exo -53.97 127.12 24.34 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 122.823 2.349 . . . . 10.0 113.128 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -51.23 -44.84 61.76 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.414 -0.812 . . . . 10.0 112.101 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 474' ' ' HIS . . . . . 0.463 ' CE1' ' HB3' ' D' ' 472' ' ' PRO . 26.9 p-80 -63.22 -30.28 71.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.816 -179.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 475' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' D' ' 475' ' ' LEU . 28.9 mt -78.58 -33.28 47.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.678 0.275 . . . . 10.0 110.289 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 476' ' ' VAL . . . . . 0.416 HG23 ' O ' ' D' ' 472' ' ' PRO . 59.9 t -63.83 -42.43 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.285 0.564 . . . . 10.0 109.505 178.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 57.3 mt -61.89 -24.8 67.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.357 -0.838 . . . . 10.0 111.504 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -63.76 -46.65 84.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.48 -0.327 . . . . 10.0 111.008 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 479' ' ' ASP . . . . . 0.527 ' HB2' HD11 ' D' ' 498' ' ' ILE . 13.0 t70 -70.15 -30.89 68.15 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.729 -0.471 . . . . 10.0 109.729 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -64.92 -25.01 67.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.28 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -91.42 -1.09 57.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.975 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.14 -58.38 2.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.624 -0.716 . . . . 10.0 110.949 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 483' ' ' THR . . . . . 0.406 ' O ' ' HB2' ' D' ' 484' ' ' ARG . 82.7 p -90.93 -36.41 14.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.864 0.364 . . . . 10.0 111.173 -179.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 484' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' D' ' 483' ' ' THR . 8.1 mpt_? 68.93 22.87 6.91 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.315 -179.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.84 116.06 7.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.282 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 29.3 m -55.81 -25.76 19.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.948 -0.569 . . . . 10.0 112.505 -178.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -60.1 -58.77 7.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 6.6 mt -70.19 -24.52 26.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.128 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 489' ' ' THR . . . . . 0.526 HG23 ' HB3' ' D' ' 479' ' ' ASP . 93.3 m -63.79 -55.96 19.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.97 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 490' ' ' THR . . . . . 0.445 ' HB ' HG13 ' B' ' 70' ' ' VAL . 1.5 m -61.6 -32.19 72.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.341 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 491' ' ' ASP . . . . . 0.42 ' CG ' ' HA ' ' B' ' 72' ' ' ARG . 35.4 t0 -67.78 -49.66 61.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.218 -0.901 . . . . 10.0 109.494 178.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -57.85 -36.57 72.5 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.832 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 493' ' ' ILE . . . . . 0.435 HG13 ' O ' ' D' ' 489' ' ' THR . 88.2 mt -62.41 -44.91 99.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 121.101 0.477 . . . . 10.0 110.019 179.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.12 -29.33 68.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.865 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -73.66 -41.18 63.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.98 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 126.65 25.43 1.26 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.394 -0.908 . . . . 10.0 112.9 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -74.36 -64.94 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.562 -0.533 . . . . 10.0 109.562 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 498' ' ' ILE . . . . . 0.527 HD11 ' HB2' ' D' ' 479' ' ' ASP . 4.4 mp -78.74 125.31 38.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.405 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 . . . . . 0 C--N 1.328 -0.368 0 CA-C-O 120.971 0.415 . . . . 10.0 110.638 -179.534 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.456 ' HB2' ' HB3' ' A' ' 63' ' ' LYS . 26.6 ptt? . . . . . 0 N--CA 1.477 0.91 0 N-CA-C 110.251 -0.277 . . . . 10.0 110.251 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -108.0 146.56 32.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.913 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.1 pt -132.19 162.75 39.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.021 178.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.456 ' O ' ' HA ' ' A' ' 66' ' ' THR . 86.5 m-85 -118.02 107.41 14.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.752 0.311 . . . . 10.0 110.903 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 13' ' ' ILE . 50.0 t -96.94 117.19 41.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.844 -0.428 . . . . 10.0 109.844 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 17.8 mttp -103.09 121.74 43.22 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.288 0.566 . . . . 10.0 111.603 -179.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.65 162.93 16.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.5 -0.773 . . . . 10.0 110.393 179.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.416 HD11 HG13 ' A' ' 70' ' ' VAL . 65.8 mt -57.27 -28.91 63.4 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.774 0.321 . . . . 10.0 111.853 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.56 4.12 12.01 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.185 0.439 . . . . 10.0 112.185 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.08 40.31 25.17 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.69 -0.767 . . . . 10.0 111.805 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 44.5 tttp -113.04 125.23 54.16 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.904 -0.148 . . . . 10.0 110.707 -179.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.4 m -100.86 111.61 23.87 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.926 0.393 . . . . 10.0 110.2 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 5' ' ' VAL . 0.7 OUTLIER -99.57 123.6 52.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.87 -179.512 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.28 110.11 20.92 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.756 -0.461 . . . . 10.0 109.756 178.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.461 HD11 HG12 ' A' ' 30' ' ' ILE . 83.1 mt -115.53 143.9 44.65 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.089 0.471 . . . . 10.0 111.694 -178.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -95.02 121.86 37.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.381 -0.827 . . . . 10.0 109.445 179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.5 m -143.84 -179.31 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.918 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -141.88 155.17 66.06 Favored Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 108.565 -0.902 . . . . 10.0 108.565 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.06 -32.57 69.72 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.339 2.026 . . . . 10.0 112.927 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.46 7.23 20.45 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.204 0.446 . . . . 10.0 112.204 -179.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -85.61 139.89 31.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.752 0.31 . . . . 10.0 110.252 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.51 144.45 31.32 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.743 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.7 mm -56.87 -39.47 65.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.109 0.48 . . . . 10.0 110.056 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -56.73 -38.61 72.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.266 -0.879 . . . . 10.0 110.66 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -67.78 -37.23 81.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.022 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.407 ' O ' HG13 ' A' ' 30' ' ' ILE . 40.3 t -63.67 -39.76 86.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.911 -0.586 . . . . 10.0 109.854 179.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -60.44 -40.19 90.22 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.433 0.635 . . . . 10.0 109.969 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.11 -35.67 80.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.421 -0.808 . . . . 10.0 110.558 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.01 -36.84 85.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.165 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.461 HG12 HD11 ' A' ' 15' ' ' LEU . 59.5 mt -73.15 -32.8 40.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 121.433 0.635 . . . . 10.0 109.77 178.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -64.28 -39.51 94.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.379 -0.828 . . . . 10.0 110.629 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -72.96 -15.54 61.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.04 0.448 . . . . 10.0 111.014 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -87.66 -69.99 0.65 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.206 0.447 . . . . 10.0 112.206 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -94.06 -6.9 44.11 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.695 0.628 . . . . 10.0 112.695 -177.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.33 28.63 59.6 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.362 -0.923 . . . . 10.0 112.126 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.7 mt -93.9 122.38 62.19 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 110.309 -0.256 . . . . 10.0 110.309 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 42.7 Cg_exo -56.37 131.1 43.69 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.478 2.119 . . . . 10.0 111.901 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 51.5 Cg_exo -54.86 -33.3 81.2 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 123.168 2.579 . . . . 10.0 113.174 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -67.02 -20.33 65.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.186 0.517 . . . . 10.0 111.066 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -103.06 8.82 38.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.935 0.398 . . . . 10.0 110.614 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -101.24 129.43 47.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.112 -0.494 . . . . 10.0 110.75 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.445 ' HB3' ' HB ' ' A' ' 70' ' ' VAL . 32.8 ttt180 -126.51 98.38 5.39 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.661 -0.496 . . . . 10.0 109.661 178.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 65.9 mt -87.32 131.14 34.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.88 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 74.9 mt -125.43 133.71 68.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.526 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.405 ' HB3' HD21 ' A' ' 50' ' ' LEU . 80.7 t80 -126.93 115.88 19.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.106 -0.497 . . . . 10.0 109.846 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.18 23.46 13.66 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.861 -0.609 . . . . 10.0 112.215 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.21 -4.13 64.67 Favored Glycine 0 CA--C 1.517 0.199 0 C-N-CA 120.779 -0.724 . . . . 10.0 112.868 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -105.66 138.98 40.95 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.969 -0.382 . . . . 10.0 109.969 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -82.18 141.06 33.36 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.232 -0.284 . . . . 10.0 110.232 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.405 HD21 ' HB3' ' A' ' 45' ' ' PHE . 21.4 mt -93.3 128.67 39.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.608 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -88.71 144.84 26.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.458 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -63.95 -27.28 69.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.405 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.77 33.56 4.77 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.624 -0.798 . . . . 10.0 112.97 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.8 mmt-85 -132.7 162.29 31.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.816 0.308 . . . . 10.0 110.328 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.652 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 0.2 OUTLIER -98.34 164.57 12.24 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 179.491 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 23.1 mt -64.46 -39.04 93.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.916 0.388 . . . . 10.0 111.305 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 p -69.05 -16.09 63.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.041 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.652 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.0 OUTLIER -62.83 -31.66 72.71 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.093 0.473 . . . . 10.0 110.726 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -107.68 16.53 23.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.996 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.9 t30 62.66 26.27 15.57 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.231 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.6 mt -76.47 113.22 15.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.064 0.459 . . . . 10.0 110.244 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -108.68 -160.6 0.73 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.732 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.456 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 17.3 pttp -76.15 148.16 38.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.974 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 60.76 43.26 12.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.767 -0.651 . . . . 10.0 111.537 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.1 m -106.1 143.23 34.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.506 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 18.4 m -98.4 125.57 43.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.007 0.432 . . . . 10.0 111.203 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 mp -115.05 145.73 42.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.596 -0.729 . . . . 10.0 109.479 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -98.56 134.39 41.58 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.562 0.22 . . . . 10.0 110.467 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.8 tp -116.17 105.26 12.38 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.003 0.43 . . . . 10.0 110.832 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.445 ' HB ' ' HB3' ' A' ' 42' ' ' ARG . 42.2 t -97.05 133.32 39.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.728 179.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 66.4 mt . . . . . 0 C--N 1.325 -0.499 0 CA-C-O 120.793 0.33 . . . . 10.0 111.091 -179.543 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.486 1.342 0 N-CA-C 109.886 -0.413 . . . . 10.0 109.886 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -119.15 152.09 37.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.03 0.443 . . . . 10.0 111.505 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 19.3 pt -130.62 162.03 39.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.533 -0.758 . . . . 10.0 110.064 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.49 ' O ' ' HA ' ' B' ' 66' ' ' THR . 80.1 m-85 -107.71 117.01 32.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.74 0.305 . . . . 10.0 110.908 -179.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 46.7 t -99.57 118.51 46.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.803 -0.443 . . . . 10.0 109.803 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -102.59 132.95 48.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.026 0.441 . . . . 10.0 111.049 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.89 154.23 22.42 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.552 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 61.7 mt -61.51 -20.22 62.96 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.764 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.51 4.14 22.32 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.597 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.12 46.43 10.33 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.717 -0.754 . . . . 10.0 111.436 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 13.4 tttp -126.18 141.15 52.05 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.081 -0.34 . . . . 10.0 110.081 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.6 m -125.44 115.47 20.32 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.329 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 22.2 mt -113.25 132.65 61.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.527 -0.306 . . . . 10.0 110.798 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.25 122.61 41.62 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.821 0.344 . . . . 10.0 110.178 178.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 66.0 mt -119.93 146.39 45.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.427 -0.351 . . . . 10.0 111.54 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -86.49 120.38 27.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.863 -0.608 . . . . 10.0 109.464 178.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 14.6 m -134.48 174.4 13.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.013 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.402 ' H ' ' HB2' ' B' ' 21' ' ' ASP . 6.5 mm-40 -130.81 160.04 68.41 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.273 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -62.44 -22.66 74.35 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.252 1.968 . . . . 10.0 112.006 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.67 9.95 42.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.939 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.402 ' HB2' ' H ' ' B' ' 18' ' ' GLU . 15.5 t0 -77.11 141.1 40.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.005 0.431 . . . . 10.0 110.723 -179.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 16.3 m -94.87 144.52 25.59 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.646 -0.706 . . . . 10.0 110.704 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.546 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 45.5 mm -53.88 -41.49 49.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.455 -0.339 . . . . 10.0 110.698 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -57.39 -39.72 76.7 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.647 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -67.44 -37.18 82.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.114 -0.494 . . . . 10.0 109.68 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 67.1 t -64.1 -39.19 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.87 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' B' ' 23' ' ' ILE . 9.9 mmmm -60.0 -41.39 91.98 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.838 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.66 -35.96 82.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.298 -0.864 . . . . 10.0 110.787 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.12 -46.25 84.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.344 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 61.8 mt -64.44 -36.92 78.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-O 121.294 0.569 . . . . 10.0 110.161 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -61.97 -38.25 87.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.751 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -77.19 -16.03 59.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.463 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -93.62 -62.26 1.39 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.909 0.337 . . . . 10.0 111.909 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -87.93 -21.22 25.04 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.648 0.61 . . . . 10.0 112.648 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.24 37.29 15.41 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.296 -0.954 . . . . 10.0 112.56 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.4 mt -114.33 126.32 28.13 Favored Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 109.967 -0.383 . . . . 10.0 109.967 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.517 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 50.2 Cg_exo -53.42 139.55 64.94 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.819 2.346 . . . . 10.0 112.568 179.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.517 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 16.7 Cg_exo -67.37 -5.75 14.71 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.295 2.663 . . . . 10.0 113.725 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -78.82 -43.43 25.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.059 0.457 . . . . 10.0 110.933 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.425 ' OE1' ' HB2' ' B' ' 37' ' ' PRO . 22.8 mp0 -82.53 -7.1 59.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.981 -0.554 . . . . 10.0 111.076 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -81.11 109.71 15.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.019 -0.537 . . . . 10.0 112.231 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -107.63 108.19 19.34 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.73 -0.841 . . . . 10.0 108.73 177.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 42.0 mt -90.31 119.36 30.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.904 0.383 . . . . 10.0 111.27 -178.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mp -116.33 142.2 30.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.901 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -134.38 108.86 8.41 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.297 -0.411 . . . . 10.0 110.09 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.65 19.34 11.27 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.852 -0.613 . . . . 10.0 112.205 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.28 -14.64 33.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.697 -0.763 . . . . 10.0 113.167 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -104.91 138.31 41.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.674 0.237 . . . . 10.0 110.369 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.409 HE21 ' HB3' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -81.58 144.21 31.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.8 0.333 . . . . 10.0 110.436 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 23.4 mt -95.12 126.68 40.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.957 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.528 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 17.6 mt-10 -73.71 138.25 44.54 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.878 -0.786 . . . . 10.0 108.878 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.32 -42.0 81.03 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.399 0.518 . . . . 10.0 112.399 -178.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.52 47.09 3.75 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.616 -0.802 . . . . 10.0 113.804 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.528 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 28.6 mmt180 -132.51 165.31 24.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.845 0.355 . . . . 10.0 110.353 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.4 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 1.8 m -97.74 156.73 16.43 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.925 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 55.0 mt -59.99 -48.25 82.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.987 0.422 . . . . 10.0 110.935 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.0 m -70.33 -7.93 46.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.588 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' B' ' 55' ' ' THR . 0.5 OUTLIER -69.81 -33.5 72.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.232 0.539 . . . . 10.0 109.569 179.324 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -100.17 14.7 29.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.444 -0.798 . . . . 10.0 110.396 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 65.52 24.28 11.82 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.466 -0.788 . . . . 10.0 111.4 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 86.4 mt -71.08 123.43 25.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.057 0.456 . . . . 10.0 109.813 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -110.75 -167.03 1.13 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.273 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -74.31 151.99 39.71 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.587 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 64.02 15.61 9.34 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.558 0.577 . . . . 10.0 112.558 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 40.0 m -75.32 146.24 41.12 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.071 -0.344 . . . . 10.0 110.071 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.49 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 4.5 m -99.44 117.36 33.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.074 0.464 . . . . 10.0 111.339 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.5 mp -99.71 128.84 45.8 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.628 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.53 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 41.1 m80 -89.91 114.31 26.08 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.485 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.0 tp -96.83 108.03 20.63 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.911 0.386 . . . . 10.0 110.654 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 90.2 t -102.22 128.08 55.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.218 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 79.8 mt -104.56 125.51 50.77 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 CA-C-O 121.206 0.526 . . . . 10.0 111.481 -179.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 120.986 0.422 . . . . 10.0 110.75 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -67.95 -37.56 81.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.517 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 57.6 mt -66.32 -41.95 88.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.689 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -64.75 -40.17 94.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.068 0.461 . . . . 10.0 110.47 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -67.4 -42.35 83.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.622 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 37.1 mtm -65.65 -39.55 91.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.9 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.87 -37.64 85.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.742 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 462' ' ' HIS . . . . . 0.474 ' O ' ' HG3' ' D' ' 466' ' ' GLU . 69.0 t60 -58.25 -44.4 88.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.107 179.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 463' ' ' GLN . . . . . 0.485 ' O ' ' HG2' ' D' ' 467' ' ' MET . 26.4 tp60 -60.06 -40.58 89.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.657 -0.701 . . . . 10.0 110.883 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 464' ' ' ILE . . . . . 0.463 HD11 ' HA ' ' D' ' 486' ' ' VAL . 69.7 mt -72.4 -40.02 63.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.075 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 43.0 tp60 -59.43 -28.17 66.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.755 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' D' ' 462' ' ' HIS . 22.3 mt-10 -76.3 -21.27 56.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.663 179.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . 0.53 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 34.9 mmm -89.41 -33.46 16.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.443 0.639 . . . . 10.0 109.754 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 468' ' ' PHE . . . . . 0.416 ' O ' HG12 ' D' ' 471' ' ' VAL . 4.6 m-85 -128.37 85.11 61.27 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.627 -0.715 . . . . 10.0 110.741 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -82.76 31.24 0.52 Allowed 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.72 2.28 . . . . 10.0 112.397 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -135.15 14.45 3.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.083 -179.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 471' ' ' VAL . . . . . 0.416 HG12 ' O ' ' D' ' 468' ' ' PHE . 10.5 p -121.17 132.42 24.22 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.351 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 472' ' ' PRO . . . . . 0.456 ' HB3' ' CE1' ' D' ' 474' ' ' HIS . 58.1 Cg_exo -53.16 120.71 8.15 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.687 2.258 . . . . 10.0 112.432 179.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -54.8 -37.5 66.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.332 -0.849 . . . . 10.0 112.614 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 474' ' ' HIS . . . . . 0.456 ' CE1' ' HB3' ' D' ' 472' ' ' PRO . 49.5 p-80 -65.7 -27.82 68.62 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 121.051 -0.26 . . . . 10.0 111.491 -179.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 74.6 mt -79.08 -32.52 44.73 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.923 -0.399 . . . . 10.0 109.923 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 51.6 t -64.66 -42.73 95.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.466 0.651 . . . . 10.0 109.487 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 47.1 mt -63.79 -25.88 68.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.764 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.04 -47.1 66.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.344 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -67.44 -32.58 73.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.344 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.29 -24.33 66.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.714 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -95.91 3.46 53.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.462 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -112.62 -54.81 2.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.238 -179.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 67.3 p -92.79 -39.92 10.96 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.836 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 65.35 35.86 7.27 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.449 -0.796 . . . . 10.0 111.354 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 1.7 t -147.79 123.4 10.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.997 -0.547 . . . . 10.0 109.828 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 486' ' ' VAL . . . . . 0.463 ' HA ' HD11 ' D' ' 464' ' ' ILE . 15.6 m -60.61 -32.98 52.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.975 0.417 . . . . 10.0 111.124 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -68.03 -47.93 67.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.664 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 488' ' ' ILE . . . . . 0.42 ' O ' ' HB2' ' D' ' 492' ' ' ASN . 61.2 mt -71.99 -43.52 67.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.762 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 52.0 m -54.88 -51.98 64.27 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.109 0.411 . . . . 10.0 112.109 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 4.2 m -60.74 -41.93 96.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.601 -178.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -70.89 -36.91 72.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.963 0.411 . . . . 10.0 110.49 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 492' ' ' ASN . . . . . 0.443 ' ND2' ' HG2' ' D' ' 497' ' ' ARG . 5.3 t30 -56.1 -41.96 76.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.659 -0.7 . . . . 10.0 109.463 178.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 75.1 mt -67.12 -40.71 85.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.723 -0.672 . . . . 10.0 110.03 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -37.36 85.11 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.97 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -71.75 -21.12 61.79 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.136 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 101.94 26.93 7.25 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.7 -0.762 . . . . 10.0 112.939 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 497' ' ' ARG . . . . . 0.443 ' HG2' ' ND2' ' D' ' 492' ' ' ASN . 17.1 tpp180 -72.69 -43.0 63.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.31 0.576 . . . . 10.0 109.891 179.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 2.6 mp -96.14 130.93 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-N 115.221 -0.9 . . . . 10.0 108.94 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 . . . . . 0 C--N 1.326 -0.453 0 CA-C-O 121.051 0.453 . . . . 10.0 111.329 -179.71 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 110.178 -0.304 . . . . 10.0 110.178 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -108.55 144.6 36.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.796 0.332 . . . . 10.0 111.322 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.4 pt -130.72 162.37 38.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.857 -0.611 . . . . 10.0 109.446 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -117.34 109.95 17.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.675 0.274 . . . . 10.0 110.723 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 49.4 t -98.14 116.67 41.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.002 0.429 . . . . 10.0 110.02 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -99.5 125.99 45.35 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.011 0.434 . . . . 10.0 111.222 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.567 HG22 HD23 ' A' ' 69' ' ' LEU . 21.5 p -93.08 149.12 21.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.253 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.6 mt -65.74 -13.65 59.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 10.0 111.055 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.63 -24.89 58.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.751 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.7 44.28 1.15 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.75 -0.738 . . . . 10.0 112.789 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -142.47 138.13 30.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.778 0.323 . . . . 10.0 111.074 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.9 123.91 45.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.106 -0.497 . . . . 10.0 109.968 178.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.4 mt -105.8 134.98 45.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.993 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.28 128.61 45.42 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.625 178.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.6 mt -131.85 134.7 46.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.015 0.435 . . . . 10.0 111.719 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.3 102.29 14.96 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.461 -0.94 . . . . 10.0 108.461 178.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.9 m -127.32 -179.31 2.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.151 -0.477 . . . . 10.0 111.023 -178.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.491 ' O ' HD12 ' A' ' 56' ' ' LEU . 8.3 mm-40 -143.23 161.03 49.91 Favored Pre-proline 0 C--N 1.321 -0.657 0 N-CA-C 108.996 -0.742 . . . . 10.0 108.996 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -56.04 -26.18 58.04 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.342 2.028 . . . . 10.0 112.927 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -88.8 8.04 31.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.758 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -85.53 140.49 30.6 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.962 -0.384 . . . . 10.0 109.962 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.481 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.8 p -94.11 152.05 19.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.653 -179.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.6 mm -58.51 -35.6 55.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.002 0.43 . . . . 10.0 110.026 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -41.84 98.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.19 178.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -69.65 -37.81 76.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.433 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 22' ' ' THR . 95.5 t -63.23 -39.34 84.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.889 178.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.408 ' HB3' ' HB3' ' A' ' 38' ' ' PRO . 80.9 mttt -60.25 -41.96 94.3 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.763 179.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.62 -34.34 76.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.394 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -68.38 -36.24 78.88 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.329 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 68.1 mt -70.04 -35.48 64.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.43 -0.582 . . . . 10.0 109.43 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.502 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 22.0 tt0 -69.32 -26.4 64.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.592 -0.731 . . . . 10.0 109.845 179.003 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -77.17 -38.99 50.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.567 -0.742 . . . . 10.0 111.167 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -87.02 -57.79 2.83 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.751 0.648 . . . . 10.0 112.751 -178.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -86.55 -23.36 25.86 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.274 0.472 . . . . 10.0 112.274 -177.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.502 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 82.12 15.05 75.62 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.355 -0.926 . . . . 10.0 113.1 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.0 mt -85.54 123.15 73.11 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 110.304 -0.258 . . . . 10.0 110.304 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -55.73 131.43 46.05 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.683 2.255 . . . . 10.0 112.239 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.408 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 50.0 Cg_exo -55.74 -26.31 55.86 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 123.09 2.527 . . . . 10.0 112.489 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -69.04 -18.89 64.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.563 -0.744 . . . . 10.0 111.333 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -109.21 5.35 23.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.546 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -93.84 126.64 39.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.884 -179.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.5 mtt180 -127.41 102.0 6.7 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.957 -0.757 . . . . 10.0 108.957 177.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.0 mt -90.15 124.2 34.63 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.603 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mp -116.77 128.84 74.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.67 -0.695 . . . . 10.0 109.644 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.573 ' HB3' HD21 ' A' ' 50' ' ' LEU . 70.2 t80 -124.19 116.45 22.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.173 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.7 18.09 9.3 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.754 -0.657 . . . . 10.0 112.072 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.26 -11.02 51.3 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.813 -0.708 . . . . 10.0 112.89 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -102.07 136.98 40.95 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.079 -0.341 . . . . 10.0 110.079 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -80.94 131.98 35.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.032 0.444 . . . . 10.0 110.582 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.573 HD21 ' HB3' ' A' ' 45' ' ' PHE . 21.9 mt -86.26 125.48 33.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.737 -179.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.508 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 41.8 mt-10 -83.52 150.69 25.82 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.887 -0.412 . . . . 10.0 109.887 179.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.53 -41.91 91.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.432 -0.349 . . . . 10.0 111.606 -179.228 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.8 45.12 3.46 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.929 -0.653 . . . . 10.0 113.124 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.508 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 21.8 mmt180 -133.3 159.21 40.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.719 0.295 . . . . 10.0 110.257 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.411 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -104.55 157.9 16.85 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.906 179.247 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.491 HD12 ' O ' ' A' ' 18' ' ' GLU . 61.7 mt -62.52 -33.82 75.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.025 0.441 . . . . 10.0 111.079 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.73 -24.55 62.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.099 -0.501 . . . . 10.0 111.064 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 55' ' ' THR . 31.2 m-20 -62.69 -31.73 72.68 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.19 -179.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -104.33 10.33 35.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.618 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 59.18 41.44 20.29 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.793 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 77.3 mt -85.18 112.93 22.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.118 -0.492 . . . . 10.0 109.803 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -100.65 -166.98 1.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.243 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -76.92 151.12 35.87 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.837 0.351 . . . . 10.0 110.982 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 68.76 19.8 8.32 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.589 -0.732 . . . . 10.0 111.692 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.9 m -86.75 147.93 25.64 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.981 -0.378 . . . . 10.0 109.981 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.9 m -101.95 131.1 48.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.026 0.441 . . . . 10.0 111.511 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -115.79 139.28 50.32 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.934 -0.765 . . . . 10.0 108.934 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -99.98 126.71 46.19 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.765 0.316 . . . . 10.0 110.478 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.567 HD23 HG22 ' A' ' 7' ' ' THR . 43.5 tp -105.83 110.41 22.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.326 0.584 . . . . 10.0 110.607 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.4 t -100.53 132.96 45.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.428 -0.806 . . . . 10.0 110.019 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 78.0 mt . . . . . 0 C--N 1.328 -0.334 0 N-CA-C 109.856 -0.424 . . . . 10.0 109.856 179.642 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.451 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 26.1 ptt? . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 110.091 -0.337 . . . . 10.0 110.091 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -102.81 139.02 38.94 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.38 -0.373 . . . . 10.0 111.437 -178.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 23.4 pt -124.94 164.17 24.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.403 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.467 ' O ' ' HA ' ' B' ' 66' ' ' THR . 64.2 m-85 -118.95 110.51 17.22 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.972 0.415 . . . . 10.0 110.866 -179.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 43.2 t -98.16 121.37 48.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 109.812 -0.44 . . . . 10.0 109.812 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -104.16 135.25 46.0 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.011 0.434 . . . . 10.0 111.097 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.5 p -99.77 169.15 9.45 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.915 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 56.1 mt -76.4 -1.29 26.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.153 0.501 . . . . 10.0 110.349 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.61 -27.93 16.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.482 179.095 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.75 3.12 23.75 Favored Glycine 0 C--N 1.333 0.374 0 C-N-CA 121.043 -0.598 . . . . 10.0 112.189 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 41.7 tttt -86.2 133.45 33.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.618 0.247 . . . . 10.0 110.766 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.2 m -102.27 115.41 30.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.27 -0.423 . . . . 10.0 109.905 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 15.9 mt -99.65 121.23 50.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.264 -0.426 . . . . 10.0 111.366 -179.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.39 131.35 36.93 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 178.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 56.1 mt -138.45 146.93 42.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.049 0.452 . . . . 10.0 112.032 -178.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -98.18 116.27 30.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.187 -0.915 . . . . 10.0 109.287 178.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.451 ' O ' ' HG2' ' B' ' 1' ' ' MET . 4.6 m -141.06 154.67 21.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.374 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -106.81 151.64 40.61 Favored Pre-proline 0 C--N 1.319 -0.734 0 N-CA-C 109.395 -0.594 . . . . 10.0 109.395 178.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.67 -25.32 41.35 Favored 'Trans proline' 0 CA--C 1.533 0.435 0 C-N-CA 122.809 2.34 . . . . 10.0 113.172 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.81 4.71 48.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.409 -0.36 . . . . 10.0 111.932 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -78.75 151.73 31.9 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.72 0.295 . . . . 10.0 110.388 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.9 m -95.04 143.8 26.22 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.559 -178.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.43 HG12 ' O ' ' B' ' 54' ' ' ARG . 46.8 mm -53.21 -40.74 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 C-N-CA 122.474 0.31 . . . . 10.0 111.347 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -58.8 -35.6 73.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.906 0.384 . . . . 10.0 110.778 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.45 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 65.8 t30 -75.01 -35.29 61.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.049 0.452 . . . . 10.0 110.265 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 58.8 t -62.3 -48.22 89.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.326 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -69.5 -24.83 63.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.543 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.43 -32.14 70.92 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 178.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 95.9 mttt -71.27 -34.4 70.65 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.132 -0.692 . . . . 10.0 109.132 178.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 39.8 mt -70.36 -28.31 34.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 178.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -65.75 -23.45 66.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.491 -0.777 . . . . 10.0 109.949 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -92.51 -44.48 8.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.284 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 38.8 tttt -66.69 -43.12 85.25 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.714 -0.676 . . . . 10.0 111.663 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -101.31 -48.09 4.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.706 0.289 . . . . 10.0 111.184 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.62 -12.99 22.96 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.616 -0.802 . . . . 10.0 111.892 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 33.1 mt -68.26 125.79 91.96 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.565 -0.318 . . . . 10.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.466 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 51.8 Cg_exo -55.87 146.99 64.68 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 122.967 2.445 . . . . 10.0 112.413 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 27.9 Cg_exo -60.99 -24.77 80.31 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.765 2.31 . . . . 10.0 113.023 -179.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.22 -23.72 63.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.0 0.429 . . . . 10.0 111.117 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -101.95 6.62 41.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.167 -0.47 . . . . 10.0 111.047 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -103.86 104.63 14.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.615 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.419 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 6.1 ttt180 -103.9 106.53 17.07 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.647 -0.871 . . . . 10.0 108.647 178.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 65.5 mt -95.21 127.4 41.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.166 0.508 . . . . 10.0 111.775 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.6 mp -126.35 140.31 49.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.463 -0.79 . . . . 10.0 110.124 179.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.621 ' HB3' HD21 ' B' ' 50' ' ' LEU . 78.4 t80 -132.81 118.7 19.32 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.526 -0.546 . . . . 10.0 109.526 179.106 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.69 32.82 22.58 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.242 0.544 . . . . 10.0 111.186 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.08 -11.38 62.9 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.921 -0.657 . . . . 10.0 112.662 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -92.86 129.22 38.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.698 0.249 . . . . 10.0 110.502 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -75.52 132.56 40.82 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.621 HD21 ' HB3' ' B' ' 45' ' ' PHE . 22.3 mt -89.44 122.75 32.94 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.564 0.221 . . . . 10.0 111.509 -178.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.492 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 16.7 mt-10 -74.12 142.71 45.54 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.607 -0.516 . . . . 10.0 109.607 178.431 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.61 -37.12 72.74 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.363 0.505 . . . . 10.0 112.363 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.71 32.64 5.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 10.0 114.616 -177.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.492 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 19.6 mmt180 -123.53 168.04 13.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.837 0.819 . . . . 10.0 109.996 178.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 23.0 p -105.83 174.11 6.02 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.748 0.309 . . . . 10.0 110.454 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 89.9 mt -68.25 -47.72 66.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.973 0.416 . . . . 10.0 111.135 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -61.03 -26.59 67.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.107 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -62.86 -27.44 69.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.521 -0.763 . . . . 10.0 111.386 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -109.65 13.81 23.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.184 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 68.64 21.99 7.72 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 123.757 0.66 . . . . 10.0 111.501 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 59.2 mt -78.09 117.05 22.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.426 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -107.94 -168.04 1.32 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.057 -0.52 . . . . 10.0 109.969 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 56.8 pttt -74.02 153.06 39.85 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.88 -0.328 . . . . 10.0 110.558 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 66.89 14.02 9.66 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.75 0.656 . . . . 10.0 112.404 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 16.1 m -81.97 144.59 30.8 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.989 -0.284 . . . . 10.0 110.276 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 46.6 m -96.03 131.57 42.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.961 0.41 . . . . 10.0 110.927 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 mp -113.2 134.9 54.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.106 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -87.89 122.39 31.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.1 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 38.5 tp -106.64 108.09 19.42 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.022 0.439 . . . . 10.0 110.695 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.419 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 78.3 t -98.75 121.75 49.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.712 -0.677 . . . . 10.0 110.162 179.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 55.9 mt -89.61 122.07 32.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.019 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.656 0 CA-C-O 120.985 0.421 . . . . 10.0 111.111 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 121.048 0.452 . . . . 10.0 110.239 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 47.2 mm-40 -67.69 -33.13 74.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.412 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 86.4 mt -66.8 -39.19 87.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.194 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -66.56 -42.4 87.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.935 0.397 . . . . 10.0 109.948 179.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -60.74 -41.23 94.95 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.888 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 43.6 mtm -70.68 -41.21 72.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.775 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.42 -42.87 95.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.733 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -61.49 -30.76 70.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.601 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -63.58 -40.85 98.0 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.724 -0.473 . . . . 10.0 109.724 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 52.8 mt -73.83 -40.02 52.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.078 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -60.53 -25.44 66.13 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.796 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -75.84 -33.3 60.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.661 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 35.0 mmm -81.16 -45.05 16.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.687 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 468' ' ' PHE . . . . . 0.473 ' O ' HG12 ' D' ' 471' ' ' VAL . 61.7 m-85 -126.12 99.63 31.13 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.242 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -87.1 -1.21 7.9 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.823 2.349 . . . . 10.0 113.187 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 16.6 pm0 -88.84 1.82 54.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.762 0.315 . . . . 10.0 111.459 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 471' ' ' VAL . . . . . 0.473 HG12 ' O ' ' D' ' 468' ' ' PHE . 13.8 p -103.28 134.7 19.62 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.591 -0.277 . . . . 10.0 110.432 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 472' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' D' ' 471' ' ' VAL . 31.3 Cg_exo -60.92 121.3 9.48 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.364 2.043 . . . . 10.0 111.476 178.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -52.98 -38.93 62.62 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.679 -0.691 . . . . 10.0 112.564 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -65.68 -29.78 70.38 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.081 -0.248 . . . . 10.0 111.41 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 475' ' ' LEU . . . . . 0.446 HD13 HG23 ' D' ' 498' ' ' ILE . 35.0 mt -78.19 -27.46 47.94 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.919 -0.4 . . . . 10.0 109.919 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 43.3 t -69.76 -41.79 80.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.032 -0.729 . . . . 10.0 109.032 178.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 80.1 mt -63.91 -30.16 71.27 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.431 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -59.47 -56.47 21.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.944 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 479' ' ' ASP . . . . . 0.505 ' HB3' HG23 ' D' ' 489' ' ' THR . 8.7 t70 -66.49 -30.56 70.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.038 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.5 -31.82 71.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.787 0.327 . . . . 10.0 110.414 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -92.77 5.39 51.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.418 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -113.3 -47.03 3.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.333 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 72.1 p -102.87 -35.95 8.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.644 0.259 . . . . 10.0 111.569 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? 64.96 33.16 10.05 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.151 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 10.3 t -142.88 118.05 10.13 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.876 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 486' ' ' VAL . . . . . 0.412 HG22 ' H ' ' D' ' 486' ' ' VAL . 0.2 OUTLIER -57.44 -34.97 47.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.979 0.419 . . . . 10.0 110.364 179.642 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -62.15 -54.74 36.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.417 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 66.0 mt -63.91 -45.65 96.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.409 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 489' ' ' THR . . . . . 0.505 HG23 ' HB3' ' D' ' 479' ' ' ASP . 93.1 m -56.56 -50.65 71.26 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.095 0.406 . . . . 10.0 112.095 -179.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 10.5 m -61.16 -43.22 99.23 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.461 0.172 . . . . 10.0 111.406 -179.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -67.67 -42.37 82.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.112 0.482 . . . . 10.0 109.879 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -53.87 -42.5 68.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.385 -0.825 . . . . 10.0 110.854 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 85.5 mt -64.5 -46.07 93.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.626 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -22.2 65.25 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.997 0.427 . . . . 10.0 110.753 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -80.22 -40.13 27.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.097 0.475 . . . . 10.0 110.439 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 130.03 10.91 2.68 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.255 -0.974 . . . . 10.0 113.262 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 -64.36 -40.5 95.97 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.731 0.777 . . . . 10.0 109.042 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 498' ' ' ILE . . . . . 0.446 HG23 HD13 ' D' ' 475' ' ' LEU . 1.7 mp -100.0 125.82 53.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 114.904 -1.044 . . . . 10.0 108.264 178.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 . . . . . 0 C--N 1.324 -0.511 0 CA-C-O 120.885 0.374 . . . . 10.0 110.574 -179.304 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 21.6 ptt? . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 109.984 -0.376 . . . . 10.0 109.984 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -98.48 134.77 40.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.51 -0.314 . . . . 10.0 110.827 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.8 pt -123.1 160.06 26.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.13 -0.487 . . . . 10.0 109.889 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -115.44 115.51 26.66 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.85 0.357 . . . . 10.0 111.094 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.3 t -107.42 122.42 61.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.513 -0.551 . . . . 10.0 109.513 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -105.6 139.62 39.93 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.207 0.527 . . . . 10.0 111.345 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.53 -178.25 3.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.551 -0.749 . . . . 10.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 35.0 mt -65.11 -29.0 69.82 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.255 -0.43 . . . . 10.0 111.115 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.19 1.21 25.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.267 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.18 9.49 86.99 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.897 -0.668 . . . . 10.0 111.91 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -77.45 123.38 26.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.693 0.282 . . . . 10.0 110.322 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -95.99 115.88 28.1 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.3 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.5 mp -105.94 123.23 60.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.546 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 m -90.01 130.97 36.13 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.1 mt -129.85 150.69 51.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.808 0.337 . . . . 10.0 110.993 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -101.58 113.08 25.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.681 -0.69 . . . . 10.0 109.724 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.455 ' O ' ' HG2' ' A' ' 1' ' ' MET . 3.2 m -142.02 153.49 18.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.812 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.543 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 65.0 mm-40 -107.88 160.8 25.51 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 108.91 -0.774 . . . . 10.0 108.91 178.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.436 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 50.7 Cg_exo -55.34 -24.55 43.25 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.34 2.027 . . . . 10.0 113.041 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.9 -3.02 59.03 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.788 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.543 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.3 OUTLIER -69.16 130.01 41.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.803 0.335 . . . . 10.0 110.729 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.525 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -79.48 144.64 33.82 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.503 -0.555 . . . . 10.0 109.503 178.906 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.9 mm -54.68 -42.18 59.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.731 0.3 . . . . 10.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -59.15 -40.9 86.99 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.118 0.485 . . . . 10.0 110.207 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -65.72 -38.52 89.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.853 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 22' ' ' THR . 44.3 t -65.09 -42.91 95.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.014 179.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -62.9 -35.06 78.82 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.537 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.05 -36.7 84.88 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.985 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -66.25 -34.42 77.96 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.935 179.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 55.1 mt -70.49 -34.82 59.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.25 0.547 . . . . 10.0 109.563 178.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -70.44 -35.53 73.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.095 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -72.65 -33.55 66.66 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.764 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -86.25 -61.62 1.7 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.853 -0.612 . . . . 10.0 112.174 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -81.9 -46.12 14.52 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.784 0.291 . . . . 10.0 111.784 -178.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.99 -13.31 17.03 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.443 -0.884 . . . . 10.0 112.548 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 29.1 mt -64.03 123.25 81.44 Favored Pre-proline 0 C--N 1.325 -0.478 0 C-N-CA 121.968 0.107 . . . . 10.0 110.918 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.51 133.1 49.75 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.683 2.255 . . . . 10.0 111.768 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.31 -21.44 52.73 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 123.227 2.618 . . . . 10.0 112.866 -179.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.99 -32.61 73.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.136 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -100.74 3.72 42.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.535 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -86.26 126.57 34.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.927 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -123.62 95.59 4.64 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 178.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 39.8 mt -83.84 123.78 30.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.937 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 81.6 mt -120.19 129.19 75.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.648 -0.706 . . . . 10.0 110.262 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -119.8 111.2 17.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.131 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.58 22.36 12.14 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.684 -0.689 . . . . 10.0 111.742 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.18 -13.14 55.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.873 -0.679 . . . . 10.0 112.521 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -93.29 131.59 38.27 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.547 0.213 . . . . 10.0 110.623 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -82.23 127.86 33.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.429 -0.351 . . . . 10.0 110.206 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.0 mt -83.35 129.16 34.98 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.812 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.478 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 39.8 mt-10 -84.27 164.32 19.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.193 179.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -62.27 -57.55 10.98 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.277 -0.419 . . . . 10.0 112.012 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.32 60.85 4.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.848 -0.691 . . . . 10.0 113.844 -178.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.478 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 24.4 mmt180 -138.33 158.33 44.49 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 178.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.552 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 33.2 p -107.17 172.87 6.58 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.697 -0.482 . . . . 10.0 109.697 178.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.436 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 20.4 mt -66.93 -33.56 75.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.076 0.465 . . . . 10.0 110.448 179.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.3 m -70.14 -16.27 63.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.888 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.552 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.8 OUTLIER -67.87 -21.7 65.15 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.014 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -122.35 13.56 10.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.986 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.8 t30 59.28 37.02 23.76 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.595 0.712 . . . . 10.0 110.897 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.2 mt -76.82 120.94 28.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.136 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -110.37 -161.2 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.452 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -79.74 151.56 30.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.579 -0.282 . . . . 10.0 110.3 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 66.48 22.2 10.7 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.305 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.1 m -77.53 146.8 36.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.856 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 m -109.16 123.21 48.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.026 -0.533 . . . . 10.0 110.642 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mp -114.99 141.99 47.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.308 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -101.6 123.96 46.48 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.172 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.6 tp -103.63 102.42 12.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.072 0.463 . . . . 10.0 110.494 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.7 t -94.12 133.01 36.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.888 -0.597 . . . . 10.0 109.742 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.7 mt . . . . . 0 C--N 1.321 -0.647 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.267 -179.777 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.532 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 22.9 ptt? . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 110.223 -0.288 . . . . 10.0 110.223 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -110.67 140.84 44.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.567 0.222 . . . . 10.0 110.775 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 28.8 pt -134.31 157.88 41.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.433 -0.58 . . . . 10.0 109.433 178.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -114.49 115.55 27.42 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.259 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 52.1 t -99.64 123.86 52.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.618 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 19.5 tttp -102.9 141.85 35.0 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.162 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.6 p -113.48 170.28 8.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.71 0.29 . . . . 10.0 111.225 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 52.0 mt -72.0 -17.56 62.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.293 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.34 -11.49 51.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.038 0.447 . . . . 10.0 110.583 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.65 9.57 59.88 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.903 -0.665 . . . . 10.0 112.6 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -84.91 127.08 34.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.805 0.336 . . . . 10.0 110.719 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -91.11 109.5 20.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.311 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.1 mt -100.38 123.34 53.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.295 -0.412 . . . . 10.0 111.105 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.4 132.91 38.54 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.539 -0.541 . . . . 10.0 109.539 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 27.3 mt -136.54 141.33 43.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.139 0.495 . . . . 10.0 111.748 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -99.21 114.78 27.75 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.299 -0.864 . . . . 10.0 108.821 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.532 ' O ' ' HG2' ' B' ' 1' ' ' MET . 3.9 m -142.5 163.82 17.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.509 -179.029 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.421 ' O ' HD12 ' B' ' 56' ' ' LEU . 65.1 mm-40 -113.21 156.46 42.98 Favored Pre-proline 0 C--N 1.315 -0.914 0 N-CA-C 109.057 -0.72 . . . . 10.0 109.057 178.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.41 -38.32 73.58 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.153 1.902 . . . . 10.0 112.521 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.5 m -84.56 6.96 21.67 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.474 0.546 . . . . 10.0 112.474 -178.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -76.54 131.45 38.97 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 179.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.84 143.93 47.65 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.507 -0.315 . . . . 10.0 111.104 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 48.8 mm -57.92 -34.87 49.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.592 -0.521 . . . . 10.0 109.592 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -57.86 -37.64 74.28 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.277 -0.874 . . . . 10.0 110.691 178.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -73.48 -33.08 64.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.717 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 42.7 t -64.23 -39.92 87.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.515 178.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -59.87 -39.41 85.15 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.394 0.616 . . . . 10.0 109.88 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.93 -35.33 78.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.367 -0.833 . . . . 10.0 110.712 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -66.62 -38.09 86.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.154 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 66.5 mt -71.41 -34.4 53.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.952 -0.758 . . . . 10.0 108.952 178.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -66.88 -32.58 73.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.035 -0.984 . . . . 10.0 110.281 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -78.67 -35.75 44.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.159 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -81.68 -67.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.314 0.487 . . . . 10.0 112.314 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -75.31 -33.88 61.22 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.38 0.511 . . . . 10.0 112.38 -177.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.22 37.66 8.18 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.315 -0.945 . . . . 10.0 112.283 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.9 mt -111.69 125.37 30.48 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 109.846 -0.427 . . . . 10.0 109.846 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 50.0 Cg_exo -52.94 136.28 60.05 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.754 2.303 . . . . 10.0 112.458 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 45.5 Cg_exo -56.36 -25.41 56.92 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 123.052 2.501 . . . . 10.0 112.579 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -67.09 -17.67 64.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.391 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -112.0 12.12 20.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.779 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -106.3 125.67 51.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.401 -0.363 . . . . 10.0 111.447 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -129.48 102.22 6.3 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 178.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 28.6 mt -85.61 126.88 34.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.81 -178.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -124.39 134.82 65.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.576 -0.738 . . . . 10.0 110.07 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.406 ' HB3' HD21 ' B' ' 50' ' ' LEU . 59.6 t80 -116.88 99.44 7.09 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.863 -0.421 . . . . 10.0 109.863 179.078 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.82 34.97 24.05 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.789 -0.641 . . . . 10.0 111.537 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.51 -11.75 63.15 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.707 -0.759 . . . . 10.0 113.205 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -96.02 120.72 36.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.868 0.334 . . . . 10.0 110.433 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.41 129.97 38.77 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.784 -0.45 . . . . 10.0 109.784 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.406 HD21 ' HB3' ' B' ' 45' ' ' PHE . 11.1 mt -93.35 134.09 35.93 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.535 -179.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.496 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 30.3 mt-10 -88.76 143.66 26.77 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.647 -0.501 . . . . 10.0 109.647 178.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.83 -38.33 75.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.707 -179.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.55 34.55 2.91 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.054 -0.593 . . . . 10.0 113.694 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.496 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 19.5 mmt180 -135.86 164.91 26.85 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 179.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 64.3 p -105.76 169.54 8.42 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.881 -0.415 . . . . 10.0 109.881 179.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.421 HD12 ' O ' ' B' ' 18' ' ' GLU . 71.9 mt -66.35 -36.25 82.4 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.919 0.39 . . . . 10.0 110.711 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.12 -8.7 56.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.709 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' B' ' 55' ' ' THR . 3.3 m-20 -75.74 -25.74 56.82 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.146 0.498 . . . . 10.0 110.401 179.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -107.91 20.31 18.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.877 -0.601 . . . . 10.0 112.216 -178.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.6 t30 66.16 26.94 10.51 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.693 0.62 . . . . 10.0 111.67 178.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.3 mt -82.73 137.54 20.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.253 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -122.24 -164.07 1.13 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.203 -0.453 . . . . 10.0 109.97 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 31.2 pttt -80.6 154.84 27.19 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.715 -0.394 . . . . 10.0 110.641 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 64.07 18.89 11.5 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.667 -0.697 . . . . 10.0 112.207 178.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 32.5 m -86.3 145.35 26.96 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.97 0.414 . . . . 10.0 110.793 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 15.7 m -94.78 133.4 38.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.851 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 mp -118.05 153.45 33.69 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.306 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -108.92 126.52 53.16 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.521 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.7 tp -104.5 106.64 17.21 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.084 0.468 . . . . 10.0 110.608 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 79.1 t -87.98 114.62 26.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.439 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 98.1 mt -84.85 119.78 25.71 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.602 -0.518 . . . . 10.0 109.602 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.461 ' HG3' ' OD1' ' D' ' 491' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--N 1.322 -0.605 0 CA-C-O 120.934 0.397 . . . . 10.0 111.233 -178.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.455 -0.208 0 CA-C-O 121.009 0.433 . . . . 10.0 110.397 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -62.38 -45.12 94.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.648 -0.705 . . . . 10.0 110.219 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 80.4 mt -67.07 -40.0 86.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.374 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -64.51 -40.64 96.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.548 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -66.56 -37.24 84.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.955 0.407 . . . . 10.0 110.337 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 62.9 mtt -68.68 -44.2 74.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.048 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.64 -36.51 83.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.591 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -58.74 -41.98 87.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.418 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -62.24 -41.24 98.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.599 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 72.1 mt -67.94 -41.77 85.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.339 -0.392 . . . . 10.0 110.503 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -64.05 -16.41 61.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.444 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -83.02 -19.36 37.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.012 0.434 . . . . 10.0 110.185 179.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -102.75 -39.22 7.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.756 179.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 468' ' ' PHE . . . . . 0.403 ' O ' HG12 ' D' ' 471' ' ' VAL . 9.5 m-85 -118.36 91.22 40.55 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.879 179.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -87.86 6.42 5.02 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.616 2.211 . . . . 10.0 113.267 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 12.6 pm0 -107.31 1.61 23.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.594 0.235 . . . . 10.0 111.336 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 471' ' ' VAL . . . . . 0.403 HG12 ' O ' ' D' ' 468' ' ' PHE . 13.4 p -100.85 131.03 24.01 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.655 -0.248 . . . . 10.0 110.686 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 472' ' ' PRO . . . . . 0.411 ' O ' HG23 ' D' ' 476' ' ' VAL . 47.9 Cg_exo -57.71 124.92 17.17 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.752 2.302 . . . . 10.0 112.558 179.079 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -55.68 -39.26 70.73 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.56 -0.745 . . . . 10.0 112.345 -178.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 51.9 p-80 -63.88 -29.68 70.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.646 0.26 . . . . 10.0 111.069 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 46.0 mt -77.86 -35.54 50.88 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.876 -0.416 . . . . 10.0 109.876 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 476' ' ' VAL . . . . . 0.411 HG23 ' O ' ' D' ' 472' ' ' PRO . 26.5 t -63.78 -47.59 90.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.999 -0.546 . . . . 10.0 109.662 178.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 63.3 mt -64.21 -30.7 71.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.796 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -67.74 -47.53 69.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.28 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -68.4 -38.19 81.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.762 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.7 -27.79 52.17 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.862 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -78.87 -27.3 44.03 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.702 0.287 . . . . 10.0 110.972 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -88.58 -48.28 7.69 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.531 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 31.6 p -85.66 -39.68 17.0 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.736 0.273 . . . . 10.0 111.736 -178.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 60.88 28.23 18.01 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.39 0.614 . . . . 10.0 110.436 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 9.6 t -152.41 117.28 5.12 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.56 -0.746 . . . . 10.0 109.908 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 17.6 m -57.78 -32.26 42.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.302 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -61.9 -44.4 96.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.529 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 17.0 mt -75.3 -38.09 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.719 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 37.7 m -59.09 -52.6 65.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.333 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 2.7 m -62.22 -37.58 85.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 10.0 110.726 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 491' ' ' ASP . . . . . 0.461 ' OD1' ' HG3' ' B' ' 72' ' ' ARG . 4.5 t70 -66.63 -43.98 83.22 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 178.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -55.52 -36.55 66.85 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.548 -0.751 . . . . 10.0 110.817 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 83.7 mt -66.73 -45.3 88.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.205 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -34.6 77.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.882 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -61.29 -42.99 99.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.18 0.514 . . . . 10.0 110.44 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 123.16 15.61 3.75 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.54 -0.838 . . . . 10.0 112.708 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -73.58 -37.96 65.31 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 3.6 mp -95.74 124.37 48.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.534 -0.757 . . . . 10.0 109.288 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 . . . . . 0 C--N 1.325 -0.495 0 CA-C-O 120.936 0.398 . . . . 10.0 111.256 -179.235 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 110.18 -0.304 . . . . 10.0 110.18 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 71.8 mm-40 -97.4 143.59 27.98 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.111 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.9 pt -132.64 162.82 39.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.967 -0.753 . . . . 10.0 108.967 178.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -122.69 113.78 19.68 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.873 0.368 . . . . 10.0 111.127 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.8 t -105.05 120.38 55.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.022 -0.536 . . . . 10.0 109.912 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -102.45 134.18 46.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.072 0.463 . . . . 10.0 111.247 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.28 170.45 9.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.708 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.9 mt -68.24 -12.84 61.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.751 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.92 -4.35 58.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.92 0.391 . . . . 10.0 111.347 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.06 34.77 16.99 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.69 -0.767 . . . . 10.0 111.949 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.448 ' HE2' HG12 ' A' ' 13' ' ' ILE . 74.4 tttt -116.02 124.75 51.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.809 0.338 . . . . 10.0 110.415 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.9 m -95.95 114.78 26.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.413 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.448 HG12 ' HE2' ' A' ' 11' ' ' LYS . 20.7 mt -101.98 127.21 55.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.099 -179.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.95 133.95 33.55 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.716 -0.475 . . . . 10.0 109.716 178.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.6 mt -133.66 140.35 47.02 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.91 0.386 . . . . 10.0 111.125 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -97.53 109.19 21.99 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.256 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 m -136.22 -177.34 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.319 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.587 ' O ' HD12 ' A' ' 56' ' ' LEU . 35.5 mm-40 -141.56 156.1 66.72 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 108.941 -0.762 . . . . 10.0 108.941 179.18 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.402 ' HD2' ' OE1' ' A' ' 18' ' ' GLU . 11.5 Cg_endo -55.96 -28.41 68.53 Favored 'Trans proline' 0 CA--C 1.53 0.311 0 C-N-CA 122.42 2.08 . . . . 10.0 112.335 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.2 0.61 44.64 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.495 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -80.31 150.98 29.75 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 120.787 0.327 . . . . 10.0 110.29 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -94.83 144.78 25.37 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.239 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 51.7 mm -55.35 -40.68 58.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 120.976 0.417 . . . . 10.0 110.745 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -57.45 -40.9 79.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.8 -0.636 . . . . 10.0 110.832 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -68.0 -35.36 78.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.012 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.35 -41.43 92.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 178.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -61.2 -40.33 93.54 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.609 178.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.76 -37.05 86.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.556 -0.747 . . . . 10.0 110.495 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -67.04 -36.22 81.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.032 -0.531 . . . . 10.0 109.98 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 85.3 mt -68.11 -38.02 79.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 178.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -66.61 -31.77 72.67 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.761 -0.654 . . . . 10.0 109.714 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -69.09 -39.32 79.08 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 69.6 mttt -81.98 -59.4 2.59 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.496 0.554 . . . . 10.0 112.496 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -79.65 -46.91 16.29 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.263 0.468 . . . . 10.0 112.263 -178.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.32 9.78 26.85 Favored Glycine 0 N--CA 1.454 -0.162 0 C-N-CA 120.474 -0.869 . . . . 10.0 112.349 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.8 mt -88.33 123.6 68.04 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 110.463 -0.199 . . . . 10.0 110.463 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -55.55 142.37 81.47 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.757 2.305 . . . . 10.0 112.404 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -57.44 -27.14 74.78 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.923 2.415 . . . . 10.0 112.853 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -66.4 -25.89 66.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.009 0.433 . . . . 10.0 110.665 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -102.12 11.0 39.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.106 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -104.61 133.77 48.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.23 -0.441 . . . . 10.0 111.386 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.0 mtt180 -132.65 104.77 6.81 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.114 -0.493 . . . . 10.0 109.708 178.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.3 mt -92.92 126.11 37.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.968 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.6 mp -123.74 132.7 70.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.337 179.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.45 ' HB3' HD21 ' A' ' 50' ' ' LEU . 77.8 t80 -133.76 129.27 36.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.965 -0.562 . . . . 10.0 109.541 179.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.55 24.93 13.7 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.661 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.52 7.8 85.76 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.871 -0.68 . . . . 10.0 112.495 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -115.63 133.53 55.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.697 -0.296 . . . . 10.0 110.246 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -77.7 132.08 38.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.276 -0.42 . . . . 10.0 109.953 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.45 HD21 ' HB3' ' A' ' 45' ' ' PHE . 14.9 mt -87.2 142.34 27.98 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.4 -178.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.491 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 18.0 mt-10 -100.42 147.84 25.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.689 -0.687 . . . . 10.0 109.593 178.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -68.07 -20.26 64.94 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.623 0.601 . . . . 10.0 112.623 -178.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.76 4.2 85.84 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.466 -0.874 . . . . 10.0 113.042 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.491 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 22.9 mmt180 -109.63 167.0 10.47 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 122.533 -0.392 . . . . 10.0 110.795 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.5 p -109.93 169.87 8.44 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.542 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 18' ' ' GLU . 63.8 mt -62.91 -34.67 77.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.886 0.374 . . . . 10.0 110.567 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 51.0 m -68.35 -28.24 66.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.871 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -63.52 -26.25 68.62 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.814 0.34 . . . . 10.0 111.297 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -108.89 10.7 26.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.338 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.9 t30 56.99 36.04 27.24 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.461 -0.791 . . . . 10.0 111.22 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 83.7 mt -79.85 115.09 21.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.114 -0.494 . . . . 10.0 109.759 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -99.12 -163.0 1.0 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.655 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -78.26 153.6 31.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.462 -0.335 . . . . 10.0 110.834 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 60.3 24.73 14.18 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.682 -0.69 . . . . 10.0 112.023 178.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.6 m -82.24 145.83 29.82 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.2 m -100.01 122.53 43.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.43 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 mp -117.27 149.12 40.96 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.923 -0.58 . . . . 10.0 109.734 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -109.85 134.32 52.18 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.595 0.236 . . . . 10.0 110.386 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.4 tp -113.52 118.55 34.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.125 0.488 . . . . 10.0 111.472 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.6 t -102.71 139.9 22.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.291 178.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.5 mt . . . . . 0 C--N 1.326 -0.436 0 CA-C-O 120.804 0.335 . . . . 10.0 111.132 -179.357 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptt? . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.656 0.265 . . . . 10.0 110.614 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -122.6 144.51 49.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.856 0.36 . . . . 10.0 111.089 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.9 pt -128.13 165.83 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.173 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.42 ' O ' ' HA ' ' B' ' 66' ' ' THR . 89.7 m-85 -119.95 110.35 16.61 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.375 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 46.5 t -91.53 124.3 43.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.518 -0.31 . . . . 10.0 110.199 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -100.61 138.49 37.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.114 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 16.6 p -112.51 173.23 6.47 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.364 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 35.8 mt -76.67 -8.98 58.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.844 0.354 . . . . 10.0 110.814 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 3.9 p -96.48 -18.64 19.71 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.11 0.481 . . . . 10.0 110.861 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.62 -1.36 45.72 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.744 -0.741 . . . . 10.0 111.744 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 44.0 tttp -72.17 116.91 13.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.521 -0.339 . . . . 10.0 110.564 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.8 m -90.79 119.73 31.25 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.002 0.43 . . . . 10.0 110.467 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 84.0 mt -111.62 123.34 67.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.016 0.436 . . . . 10.0 111.478 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.16 136.33 33.52 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.184 -0.462 . . . . 10.0 109.779 178.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 18.9 mt -137.45 138.1 39.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.063 0.459 . . . . 10.0 111.475 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.48 111.24 19.8 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.611 -0.722 . . . . 10.0 109.149 179.03 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 15.8 m -130.16 165.99 28.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.499 -179.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.471 ' O ' HD12 ' B' ' 56' ' ' LEU . 24.9 mm-40 -122.47 158.85 55.04 Favored Pre-proline 0 C--N 1.319 -0.75 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.032 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.53 -26.92 80.55 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 121.91 1.74 . . . . 10.0 111.728 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -94.14 9.83 36.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.265 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.463 ' HB2' ' H ' ' B' ' 18' ' ' GLU . 10.7 t0 -80.2 137.39 36.66 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.766 -0.457 . . . . 10.0 109.766 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.45 146.22 27.06 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.668 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 50.0 mm -56.82 -40.78 73.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.896 0.379 . . . . 10.0 110.552 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -61.07 -35.54 77.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.629 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -69.14 -37.79 78.46 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.29 -39.16 84.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.534 178.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.417 ' HE3' ' HB2' ' B' ' 41' ' ' GLN . 2.4 mmmm -59.66 -41.31 90.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.191 178.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.33 -31.15 71.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.657 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -70.29 -38.26 74.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.23 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 63.1 mt -70.05 -37.03 71.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 121.171 0.51 . . . . 10.0 109.788 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.413 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 43.4 tt0 -66.19 -34.75 78.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.042 179.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -70.36 -23.64 62.84 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.695 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -89.65 -70.19 0.68 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.123 -0.49 . . . . 10.0 112.112 -179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -83.58 -26.11 30.32 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.496 0.554 . . . . 10.0 112.496 -177.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 94.39 -3.13 68.68 Favored Glycine 0 C--N 1.32 -0.348 0 C-N-CA 120.486 -0.864 . . . . 10.0 112.331 -179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 75.1 mt -61.99 122.02 69.39 Favored Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 110.57 -0.159 . . . . 10.0 110.57 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -55.75 137.27 77.93 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.84 2.36 . . . . 10.0 112.214 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.71 -20.54 43.23 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.667 2.245 . . . . 10.0 112.484 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -68.25 -35.24 77.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.163 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -90.56 -11.67 39.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.887 -179.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.417 ' HB2' ' HE3' ' B' ' 27' ' ' LYS . 75.2 mt-30 -78.33 95.57 5.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.117 -0.492 . . . . 10.0 112.129 -178.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.466 ' CZ ' HD22 ' D' ' 494' ' ' LEU . 36.0 ttt180 -101.29 100.67 11.21 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.688 -0.856 . . . . 10.0 108.688 177.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 64.9 mt -86.78 130.85 34.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 10.0 111.801 -178.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.4 mp -128.36 141.45 46.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.524 -0.762 . . . . 10.0 110.235 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.523 ' HB3' HD21 ' B' ' 50' ' ' LEU . 67.6 t80 -136.46 124.65 23.1 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.856 -0.424 . . . . 10.0 109.856 178.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.78 26.41 15.55 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 123.589 0.555 . . . . 10.0 111.744 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.23 1.7 78.43 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.801 -0.714 . . . . 10.0 113.102 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -117.59 136.29 53.38 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.249 -0.278 . . . . 10.0 110.249 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.8 143.3 46.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.594 0.235 . . . . 10.0 110.461 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.523 HD21 ' HB3' ' B' ' 45' ' ' PHE . 47.3 mt -94.66 143.02 26.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.059 -179.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -92.34 139.59 30.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 10.0 109.771 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -64.96 -27.37 68.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.512 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.65 22.77 12.11 Favored Glycine 0 C--O 1.228 -0.231 0 C-N-CA 120.943 -0.646 . . . . 10.0 112.882 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' B' ' 54' ' ' ARG . 8.2 mmt-85 -127.61 166.35 18.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.815 0.34 . . . . 10.0 110.491 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 49.0 p -109.21 175.33 5.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.26 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.471 HD12 ' O ' ' B' ' 18' ' ' GLU . 96.5 mt -67.26 -35.29 79.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.893 0.377 . . . . 10.0 110.993 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 49.1 m -70.98 -19.21 62.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.528 -0.305 . . . . 10.0 111.576 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -66.19 -31.21 71.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.848 0.356 . . . . 10.0 110.763 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.411 ' HB2' HG13 ' B' ' 61' ' ' ILE . 82.4 m-85 -107.27 13.79 26.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.05 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 61.41 35.49 17.75 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.333 0.587 . . . . 10.0 110.919 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.411 HG13 ' HB2' ' B' ' 59' ' ' TYR . 66.8 mt -82.63 122.31 37.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.033 179.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -109.9 -164.42 0.93 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.244 -179.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.468 ' H ' ' HD3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -76.35 156.86 32.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.685 179.865 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 67.34 13.52 9.39 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.858 0.724 . . . . 10.0 111.836 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 20.2 m -81.68 139.78 34.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.613 0.244 . . . . 10.0 110.368 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 2.0 m -91.98 129.74 37.87 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.378 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mp -109.61 131.91 54.63 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.167 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.581 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 35.9 m80 -88.33 116.9 26.88 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.881 -179.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.4 tp -104.74 98.42 8.17 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.819 -0.438 . . . . 10.0 109.819 178.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 99.1 t -97.94 127.18 50.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.912 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 49.9 mt -86.04 106.56 17.28 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.838 -0.801 . . . . 10.0 108.838 178.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.688 0 CA-C-O 120.928 0.394 . . . . 10.0 111.579 -178.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.88 0.371 . . . . 10.0 111.762 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -61.11 -41.35 96.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.122 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 65.1 mt -64.61 -39.28 93.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.748 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -65.01 -42.44 94.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.46 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -58.81 -42.93 90.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.867 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 54.1 mtm -70.6 -39.89 73.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.545 -0.752 . . . . 10.0 110.593 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.6 95.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.762 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -58.18 -41.37 83.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.834 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -64.67 -41.04 96.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.513 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 82.0 mt -65.68 -34.34 69.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.233 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 -63.31 -25.35 68.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.958 0.409 . . . . 10.0 110.819 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -77.28 -26.44 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.18 -0.463 . . . . 10.0 110.079 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . 0.581 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 62.8 mmm -88.53 -37.29 15.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.47 -0.786 . . . . 10.0 110.184 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 468' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.17 88.99 19.08 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.715 -0.675 . . . . 10.0 109.848 179.151 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -79.98 23.38 0.68 Allowed 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.706 2.271 . . . . 10.0 113.307 -178.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -150.36 52.58 0.89 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.105 0.479 . . . . 10.0 110.553 -179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 471' ' ' VAL . . . . . . . . . . . . . 12.1 p -146.56 134.54 10.6 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.551 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 472' ' ' PRO . . . . . 0.479 ' HG2' HD12 ' D' ' 475' ' ' LEU . 32.5 Cg_exo -59.77 122.26 11.16 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.316 2.011 . . . . 10.0 112.02 178.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -54.46 -44.01 72.17 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.47 -0.786 . . . . 10.0 112.641 -178.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 49.9 p-80 -64.3 -28.21 69.56 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.718 0.266 . . . . 10.0 111.718 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 475' ' ' LEU . . . . . 0.479 HD12 ' HG2' ' D' ' 472' ' ' PRO . 23.7 mt -78.04 -30.94 50.12 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.183 -0.303 . . . . 10.0 110.183 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 60.5 t -65.07 -40.81 90.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 109.158 -0.682 . . . . 10.0 109.158 178.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 71.5 mt -63.52 -29.38 70.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.45 -0.796 . . . . 10.0 110.561 178.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -66.12 -49.0 69.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.744 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -66.53 -35.55 80.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.089 0.471 . . . . 10.0 110.092 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.31 -30.75 68.57 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.518 -0.765 . . . . 10.0 111.092 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -87.27 -3.55 59.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.817 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -106.27 -64.57 1.15 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.902 0.382 . . . . 10.0 111.204 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 48.8 p -78.53 -39.0 39.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.868 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 484' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' D' ' 484' ' ' ARG . 52.1 mtt85 64.15 39.72 7.42 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.711 -0.677 . . . . 10.0 111.342 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 3.1 t -154.99 116.36 4.04 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.494 -0.558 . . . . 10.0 109.494 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 10.7 m -55.93 -33.94 36.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 120.721 0.295 . . . . 10.0 111.535 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -64.94 -54.64 27.44 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.382 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 488' ' ' ILE . . . . . 0.405 ' O ' ' HB2' ' D' ' 492' ' ' ASN . 60.5 mt -66.03 -39.21 83.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.175 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 66.2 m -58.99 -55.04 40.31 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.784 0.29 . . . . 10.0 111.784 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 2.4 m -60.9 -37.37 82.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.738 0.304 . . . . 10.0 111.142 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -68.67 -41.03 79.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.398 0.618 . . . . 10.0 109.979 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 492' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' D' ' 488' ' ' ILE . 30.1 t30 -60.77 -43.84 97.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.038 -0.983 . . . . 10.0 110.181 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 77.1 mt -68.31 -36.25 74.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.609 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 494' ' ' LEU . . . . . 0.466 HD22 ' CZ ' ' B' ' 42' ' ' ARG . 0.1 OUTLIER -63.02 -22.63 66.99 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.005 0.431 . . . . 10.0 110.983 179.881 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -91.42 -4.07 56.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.853 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 81.71 29.01 40.53 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.955 -0.64 . . . . 10.0 113.401 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -69.96 -41.69 74.15 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.213 -0.662 . . . . 10.0 109.213 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -92.56 145.95 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 N-CA-C 108.673 -0.862 . . . . 10.0 108.673 178.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 . . . . . 0 C--N 1.327 -0.372 0 CA-C-O 121.168 0.508 . . . . 10.0 111.485 -179.192 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.519 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 24.4 ptt? . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 109.862 -0.421 . . . . 10.0 109.862 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -94.95 133.93 38.16 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.259 -0.428 . . . . 10.0 112.062 -178.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.0 pt -123.43 163.16 23.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.211 -0.663 . . . . 10.0 109.211 178.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.578 ' O ' ' HA ' ' A' ' 66' ' ' THR . 86.9 m-85 -120.05 112.34 19.02 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.648 0.261 . . . . 10.0 110.782 -179.277 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.0 t -98.88 121.24 49.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -104.24 134.36 47.6 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.233 0.54 . . . . 10.0 111.354 -178.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.0 p -103.37 166.94 10.13 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.493 -0.776 . . . . 10.0 110.199 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.9 mt -67.89 -17.84 64.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.13 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.03 -2.31 51.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.348 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.98 16.36 61.29 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.784 -0.722 . . . . 10.0 112.792 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HE2' HG12 ' A' ' 13' ' ' ILE . 68.9 tttt -100.35 139.14 36.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.734 0.302 . . . . 10.0 110.74 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 m -113.04 121.42 44.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.091 -0.504 . . . . 10.0 109.831 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.415 HG12 ' HE2' ' A' ' 11' ' ' LYS . 19.4 mt -105.71 128.65 59.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.95 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.83 117.96 30.8 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.606 -0.516 . . . . 10.0 109.606 178.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.6 mt -117.28 150.95 37.94 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.996 0.427 . . . . 10.0 111.883 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -99.84 111.65 23.96 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.413 -0.812 . . . . 10.0 109.097 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.519 ' O ' ' HG2' ' A' ' 1' ' ' MET . 14.1 m -139.38 167.57 19.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.112 -179.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.471 ' O ' HD12 ' A' ' 56' ' ' LEU . 19.6 mm-40 -127.63 157.99 71.46 Favored Pre-proline 0 C--N 1.318 -0.801 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.91 -27.37 34.9 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 122.698 2.266 . . . . 10.0 113.403 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.84 2.85 47.65 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.994 0.368 . . . . 10.0 111.994 -179.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -79.42 154.78 28.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.648 0.261 . . . . 10.0 110.93 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.1 p -101.06 149.37 24.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.069 -179.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.6 mm -56.65 -43.35 78.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.166 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.82 -33.24 74.8 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.778 0.323 . . . . 10.0 110.71 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -71.83 -39.21 69.92 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.568 -0.531 . . . . 10.0 109.568 179.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 22' ' ' THR . 75.8 t -62.03 -42.98 96.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.806 -0.633 . . . . 10.0 109.836 178.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -62.8 -36.07 81.94 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.18 0.514 . . . . 10.0 110.104 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.39 -35.83 82.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.098 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.85 -30.6 71.24 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 109.587 -0.523 . . . . 10.0 109.587 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.4 mt -69.72 -32.42 52.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 108.585 -0.894 . . . . 10.0 108.585 177.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -71.59 -28.84 64.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.353 -0.84 . . . . 10.0 109.408 178.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -71.8 -30.34 65.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.465 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.5 mmtt -93.96 -57.94 2.39 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.72 0.637 . . . . 10.0 112.72 -178.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -92.25 -29.67 16.29 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.736 0.643 . . . . 10.0 112.736 -177.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.17 54.86 3.92 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.387 -0.911 . . . . 10.0 112.087 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.5 mt -118.02 131.65 24.07 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 109.835 -0.431 . . . . 10.0 109.835 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.61 123.46 13.4 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.846 2.364 . . . . 10.0 112.756 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -57.23 -25.04 62.59 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.992 2.461 . . . . 10.0 113.362 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -62.79 -39.37 94.03 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.929 0.395 . . . . 10.0 111.416 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.473 ' O ' ' HA ' ' A' ' 71' ' ' LEU . 64.8 mt-30 -90.34 1.21 56.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.123 -178.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -89.08 107.58 19.12 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.724 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -112.75 105.21 13.3 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.314 -0.624 . . . . 10.0 109.314 178.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.508 ' HB3' HD12 ' A' ' 50' ' ' LEU . 31.0 mt -89.6 136.53 32.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.305 -179.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 58.2 mt -129.5 131.16 67.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.694 -0.684 . . . . 10.0 109.726 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.41 ' HB3' HD21 ' A' ' 50' ' ' LEU . 42.0 t80 -129.36 119.54 24.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.66 -0.245 . . . . 10.0 110.409 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.63 31.85 21.54 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.158 -0.473 . . . . 10.0 111.334 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.99 -7.96 75.37 Favored Glycine 0 C--O 1.229 -0.165 0 C-N-CA 120.794 -0.717 . . . . 10.0 112.412 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -95.55 129.65 42.66 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.281 -0.266 . . . . 10.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -76.68 131.37 38.77 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.718 -0.475 . . . . 10.0 109.718 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.508 HD12 ' HB3' ' A' ' 43' ' ' LEU . 21.5 mt -90.4 122.79 33.58 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.843 0.354 . . . . 10.0 110.872 -179.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.429 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 40.0 mt-10 -84.54 153.45 23.26 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.041 -0.527 . . . . 10.0 109.82 179.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.52 -44.56 93.88 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.348 0.499 . . . . 10.0 112.348 -178.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.63 43.36 3.05 Favored Glycine 0 CA--C 1.518 0.235 0 C-N-CA 120.98 -0.628 . . . . 10.0 113.563 -178.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.429 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 21.5 mmt180 -132.63 160.3 37.06 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.116 -0.327 . . . . 10.0 110.116 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 79.1 p -105.73 173.38 6.33 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.876 -0.416 . . . . 10.0 109.876 178.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.471 HD12 ' O ' ' A' ' 18' ' ' GLU . 29.5 mt -69.5 -30.1 67.89 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.247 0.546 . . . . 10.0 109.82 178.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.0 m -73.38 -22.15 60.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.615 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.473 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.1 m-20 -60.92 -37.65 83.02 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.874 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -105.11 11.26 33.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.734 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 57.9 t30 57.63 42.19 24.36 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.34 0.591 . . . . 10.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 92.4 mt -81.18 132.26 31.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.447 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -121.02 -163.52 1.04 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.609 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.456 ' HE3' ' OE2' ' A' ' 64' ' ' GLU . 58.6 pttt -73.51 155.03 39.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.616 0.246 . . . . 10.0 110.622 179.341 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.456 ' OE2' ' HE3' ' A' ' 63' ' ' LYS . 36.1 mt-10 67.17 8.72 6.4 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.719 -0.673 . . . . 10.0 112.277 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.9 m -70.64 127.84 34.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.771 0.319 . . . . 10.0 110.591 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.578 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 83.8 m -93.94 110.86 22.51 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.841 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mp -99.6 142.05 31.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.553 -0.749 . . . . 10.0 109.827 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -100.81 127.11 47.39 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 110.14 -0.319 . . . . 10.0 110.14 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.5 tp -107.33 114.71 28.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.027 0.442 . . . . 10.0 110.711 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 39.5 t -112.26 134.41 54.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.853 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.473 ' HA ' ' O ' ' A' ' 40' ' ' GLN . 72.4 mt . . . . . 0 C--N 1.327 -0.398 0 CA-C-O 120.847 0.356 . . . . 10.0 110.493 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.438 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 25.6 ptt? . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 109.931 -0.396 . . . . 10.0 109.931 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -104.17 137.8 41.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.751 0.31 . . . . 10.0 111.333 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 20.9 pt -122.57 160.06 25.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.707 -0.479 . . . . 10.0 109.707 178.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -119.24 109.18 15.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.951 0.405 . . . . 10.0 111.215 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 52.3 t -93.77 120.73 43.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.159 -0.473 . . . . 10.0 109.806 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -103.19 125.35 49.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.091 0.472 . . . . 10.0 111.195 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -98.16 158.22 15.68 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.891 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 80.2 mt -59.91 -14.83 17.36 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 122.692 0.397 . . . . 10.0 112.001 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.5 p -84.44 -3.6 58.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.264 -0.425 . . . . 10.0 111.707 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.3 19.42 57.1 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 10.0 111.364 -179.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -102.16 129.76 48.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.646 -0.277 . . . . 10.0 110.336 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -113.63 112.79 24.09 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.874 -0.417 . . . . 10.0 109.874 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 8.7 mt -102.67 142.33 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.606 -178.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.0 137.96 37.73 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.112 178.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 67.5 mt -138.87 131.56 29.06 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.672 -0.24 . . . . 10.0 111.016 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -82.62 114.98 21.37 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.056 -0.72 . . . . 10.0 109.056 178.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.438 ' O ' ' HG2' ' B' ' 1' ' ' MET . 16.5 m -134.58 171.13 18.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.855 -0.612 . . . . 10.0 110.448 -179.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.472 ' O ' HD12 ' B' ' 56' ' ' LEU . 15.4 mm-40 -133.09 159.79 71.25 Favored Pre-proline 0 C--N 1.32 -0.694 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 179.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.79 -27.73 54.05 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.412 2.075 . . . . 10.0 112.594 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.35 -2.06 57.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.137 -0.483 . . . . 10.0 112.133 -179.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -76.01 146.13 39.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.742 0.306 . . . . 10.0 110.306 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.461 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.1 OUTLIER -98.23 149.79 22.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.009 -179.301 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 51.8 mm -57.48 -36.94 55.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.037 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -62.47 -41.65 98.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.386 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.419 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 62.4 t30 -69.21 -37.27 77.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.826 0.346 . . . . 10.0 110.523 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 22' ' ' THR . 88.8 t -59.83 -41.38 85.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.213 -0.449 . . . . 10.0 109.855 179.004 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -66.76 -33.45 75.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.594 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.22 -31.14 72.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.074 0.464 . . . . 10.0 110.111 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 91.3 mttt -69.2 -38.04 78.42 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.891 179.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 49.2 mt -71.64 -28.16 30.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 178.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.51 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 33.4 tt0 -74.16 -22.57 59.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.628 178.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -80.85 -46.57 15.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.034 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -74.48 -65.69 0.83 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.804 -0.635 . . . . 10.0 111.631 -179.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -81.04 -54.26 5.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.154 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.51 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 105.8 44.83 1.36 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.481 -0.866 . . . . 10.0 112.338 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.8 mt -105.39 123.68 38.8 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 109.969 -0.382 . . . . 10.0 109.969 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 52.7 Cg_exo -54.46 140.96 74.14 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.579 2.186 . . . . 10.0 112.164 179.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 32.1 Cg_exo -57.76 -21.01 45.89 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.892 2.394 . . . . 10.0 112.869 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.56 -32.01 62.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.588 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.506 ' HA ' ' HG2' ' B' ' 72' ' ' ARG . 68.5 mt-30 -91.98 -19.31 22.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.083 0.468 . . . . 10.0 110.442 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -79.12 97.97 6.37 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.453 -0.794 . . . . 10.0 111.606 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -103.46 99.22 9.04 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.37 -0.604 . . . . 10.0 109.37 178.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.464 ' HB3' HD12 ' B' ' 50' ' ' LEU . 70.4 mt -82.49 126.42 32.23 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.168 0.508 . . . . 10.0 111.186 -179.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.463 HG12 ' CZ ' ' D' ' 468' ' ' PHE . 1.4 mp -122.97 147.4 27.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.43 -0.804 . . . . 10.0 109.531 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -140.53 118.53 11.87 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.904 -0.406 . . . . 10.0 109.904 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.89 21.52 11.72 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.898 179.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.56 18.33 38.75 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.582 -0.818 . . . . 10.0 113.059 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -132.37 163.1 29.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.477 -0.426 . . . . 10.0 110.136 179.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.71 146.33 25.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.974 0.416 . . . . 10.0 111.259 -179.176 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.464 HD12 ' HB3' ' B' ' 43' ' ' LEU . 61.4 mt -95.35 123.22 38.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.903 -0.589 . . . . 10.0 109.687 178.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -71.77 127.51 32.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.864 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.65 -33.28 72.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.366 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.12 33.2 4.58 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.183 -0.532 . . . . 10.0 112.66 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 77.5 mmt-85 -135.36 170.78 15.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.948 0.404 . . . . 10.0 110.403 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 40.2 p -108.86 175.08 5.59 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.958 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.472 HD12 ' O ' ' B' ' 18' ' ' GLU . 47.9 mt -70.48 -28.06 64.7 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.537 179.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 15.5 m -67.73 -27.63 66.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.822 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -59.07 -42.93 91.54 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.141 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -98.0 10.05 41.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.803 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 52.3 t30 56.67 40.07 29.43 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.458 -0.792 . . . . 10.0 111.692 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 90.3 mt -74.26 116.86 17.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -103.89 -170.84 1.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.504 -178.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 48.6 pttt -70.9 146.87 49.31 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.737 -0.665 . . . . 10.0 110.778 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 59.98 34.58 21.52 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.672 -0.694 . . . . 10.0 112.297 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 22.3 m -95.66 142.05 28.42 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.22 -0.289 . . . . 10.0 110.22 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 29.4 m -88.26 119.94 29.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.935 0.398 . . . . 10.0 111.255 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -102.23 135.53 43.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.415 178.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -89.65 129.8 36.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.779 0.323 . . . . 10.0 110.427 -179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 49.7 tp -116.97 110.86 18.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.932 0.396 . . . . 10.0 110.388 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.45 HG13 ' HB ' ' D' ' 490' ' ' THR . 74.2 t -99.64 132.51 44.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.801 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 30.2 mt -87.03 133.06 33.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.086 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.568 ' HB2' ' OD1' ' D' ' 491' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 CA-C-O 120.979 0.419 . . . . 10.0 110.556 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.208 0 CA-C-O 120.803 0.335 . . . . 10.0 111.365 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -67.56 -41.32 84.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.049 0.452 . . . . 10.0 110.514 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 71.8 mt -66.96 -37.02 83.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.883 -0.599 . . . . 10.0 109.937 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -63.33 -37.65 88.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.487 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.71 94.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.754 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 48.2 mtm -73.67 -44.61 56.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.585 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.46 -35.99 79.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.76 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -57.27 -40.58 78.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.674 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -72.1 -35.8 69.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.064 0.459 . . . . 10.0 110.503 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 464' ' ' ILE . . . . . 0.608 HG23 HG23 ' D' ' 490' ' ' THR . 93.6 mt -68.94 -34.57 64.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.484 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -62.01 -29.2 70.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.372 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -73.38 -36.37 66.07 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.535 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 22.9 mmt -71.19 -42.02 69.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.615 -179.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 468' ' ' PHE . . . . . 0.463 ' CZ ' HG12 ' B' ' 44' ' ' ILE . 16.2 m-85 -123.19 83.2 51.61 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.387 179.24 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -75.84 45.24 1.45 Allowed 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 122.464 2.109 . . . . 10.0 112.986 -179.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -157.24 23.21 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.36 . . . . 10.0 111.239 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 471' ' ' VAL . . . . . 0.446 HG12 ' O ' ' D' ' 468' ' ' PHE . 7.3 p -120.48 132.02 24.27 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 110.039 -0.356 . . . . 10.0 110.039 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 472' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -57.2 122.97 12.73 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.565 2.176 . . . . 10.0 112.302 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -55.36 -38.46 68.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.439 -0.8 . . . . 10.0 112.075 -178.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 31.3 p-80 -65.54 -24.82 67.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.746 0.308 . . . . 10.0 111.072 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 33.4 mt -83.22 -32.52 26.45 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.583 -0.525 . . . . 10.0 109.583 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 40.6 t -66.98 -45.31 87.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 109.343 -0.614 . . . . 10.0 109.343 178.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 46.8 mt -63.51 -25.26 68.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.567 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -63.82 -55.66 21.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.357 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -68.65 -29.28 67.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.798 0.332 . . . . 10.0 110.511 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.11 -23.07 66.32 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.156 178.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -92.59 -17.91 23.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.064 -0.517 . . . . 10.0 109.93 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -88.72 -59.16 2.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.202 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 67.1 p -90.46 -42.31 10.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.641 -178.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 64.48 41.02 5.86 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.453 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 12.3 t -154.49 124.68 6.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.665 -179.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 486' ' ' VAL . . . . . 0.41 HG12 HD11 ' D' ' 464' ' ' ILE . 34.4 m -66.58 -24.64 33.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.904 0.383 . . . . 10.0 111.246 -179.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -78.9 -5.23 53.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.079 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 53.4 mt -116.65 -44.75 3.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 110.083 -0.34 . . . . 10.0 110.083 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 86.9 m -58.0 -67.19 0.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.039 -0.528 . . . . 10.0 112.004 -178.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 490' ' ' THR . . . . . 0.608 HG23 HG23 ' D' ' 464' ' ' ILE . 0.3 OUTLIER -55.61 -37.63 68.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.995 0.426 . . . . 10.0 111.67 -179.119 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 491' ' ' ASP . . . . . 0.568 ' OD1' ' HB2' ' B' ' 72' ' ' ARG . 24.0 t70 -68.64 -55.52 11.22 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.918 -179.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.34 -31.5 69.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.629 -179.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 75.6 mt -64.82 -41.84 93.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 109.33 -0.618 . . . . 10.0 109.33 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.39 -39.55 91.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.476 -0.784 . . . . 10.0 110.886 179.392 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -74.3 -50.16 20.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.791 -0.641 . . . . 10.0 111.232 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 136.45 84.56 0.16 Allowed Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.86 -0.686 . . . . 10.0 111.951 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 497' ' ' ARG . . . . . 0.448 ' HB3' HD12 ' D' ' 498' ' ' ILE . 2.2 tpp180 -133.18 -48.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.932 0.396 . . . . 10.0 110.261 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 498' ' ' ILE . . . . . 0.448 HD12 ' HB3' ' D' ' 497' ' ' ARG . 3.8 mp -95.87 143.82 11.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.944 0.402 . . . . 10.0 111.018 179.659 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.482 1.15 0 N-CA-C 109.818 -0.438 . . . . 10.0 109.818 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -105.86 135.36 47.43 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.941 0.401 . . . . 10.0 111.25 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.4 pt -115.73 162.71 13.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.817 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.458 ' O ' ' HA ' ' A' ' 66' ' ' THR . 55.6 m-85 -117.75 109.5 16.68 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.894 0.378 . . . . 10.0 110.678 -179.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 37.2 t -96.84 113.32 30.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.158 -0.474 . . . . 10.0 109.894 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.9 tttp -96.77 125.95 41.58 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.901 0.382 . . . . 10.0 111.178 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.41 157.34 15.95 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.624 178.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 38.6 mt -60.84 -16.65 43.55 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.928 0.394 . . . . 10.0 111.808 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.13 -13.22 60.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.351 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.39 9.54 55.11 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.969 -0.634 . . . . 10.0 111.658 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -97.74 131.99 43.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.658 0.266 . . . . 10.0 110.409 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.1 m -112.05 114.26 27.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.225 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.6 mt -94.45 144.09 10.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.935 -178.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -111.88 118.24 34.96 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.754 -0.462 . . . . 10.0 109.754 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.2 mt -120.93 150.3 41.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.782 0.325 . . . . 10.0 111.529 -178.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -95.66 115.34 27.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.771 -0.65 . . . . 10.0 109.481 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.2 m -140.74 179.43 2.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.148 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.501 ' O ' HD12 ' A' ' 56' ' ' LEU . 6.2 mm-40 -140.84 155.71 69.0 Favored Pre-proline 0 C--N 1.32 -0.698 0 N-CA-C 108.095 -1.076 . . . . 10.0 108.095 178.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -50.9 -30.71 31.2 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.501 2.134 . . . . 10.0 113.366 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.73 0.73 25.63 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.55 0.574 . . . . 10.0 112.55 -179.11 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -83.3 152.05 25.3 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.748 0.309 . . . . 10.0 110.394 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.456 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -99.07 150.48 21.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.871 -179.54 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.1 mm -58.4 -34.69 51.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.021 0.438 . . . . 10.0 110.613 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -59.83 -44.38 94.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.467 178.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -68.28 -37.93 81.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.327 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 22' ' ' THR . 60.5 t -62.24 -42.34 94.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.255 -0.429 . . . . 10.0 109.873 179.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -63.84 -36.61 84.46 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.068 -0.515 . . . . 10.0 109.955 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.23 -36.44 83.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.975 178.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -65.25 -36.95 85.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.035 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.7 mt -69.63 -37.93 75.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.248 -0.649 . . . . 10.0 109.248 178.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -66.33 -35.08 79.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.49 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -68.85 -33.32 73.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.809 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -92.21 -62.34 1.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.385 0.513 . . . . 10.0 112.385 -179.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -69.62 -46.52 66.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.745 0.307 . . . . 10.0 111.09 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.01 -3.19 31.62 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.553 -0.832 . . . . 10.0 112.345 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 34.4 mt -78.66 126.27 82.94 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 110.557 -0.164 . . . . 10.0 110.557 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -59.74 143.82 99.56 Favored 'Trans proline' 0 CA--C 1.529 0.265 0 C-N-CA 122.492 2.128 . . . . 10.0 112.137 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -68.17 -8.51 23.03 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.963 2.442 . . . . 10.0 113.417 -178.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -72.18 -38.91 68.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.073 0.464 . . . . 10.0 111.008 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -90.29 -11.23 41.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.357 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -74.3 111.11 9.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.44 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' A' ' 42' ' ' ARG . 10.2 mmt85 -112.27 99.01 7.69 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.201 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.436 ' HB3' HD12 ' A' ' 50' ' ' LEU . 30.1 mt -89.01 127.59 35.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.881 -0.599 . . . . 10.0 111.396 -179.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mp -126.96 134.54 65.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.698 -0.683 . . . . 10.0 109.328 179.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -115.03 98.19 6.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.577 0.227 . . . . 10.0 110.723 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.44 55.35 7.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.737 -0.665 . . . . 10.0 112.465 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.35 12.18 84.81 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.908 -0.663 . . . . 10.0 113.477 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -123.22 111.22 16.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.757 0.278 . . . . 10.0 110.489 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -65.53 130.08 42.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.363 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.436 HD12 ' HB3' ' A' ' 43' ' ' LEU . 14.6 mt -93.9 135.49 35.18 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.802 0.334 . . . . 10.0 110.858 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.401 ' CD ' ' HE ' ' A' ' 54' ' ' ARG . 4.1 mt-10 -100.56 152.33 20.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.168 179.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.95 -45.96 89.19 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.517 0.562 . . . . 10.0 112.517 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.28 27.0 2.46 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 121.028 -0.606 . . . . 10.0 114.392 -178.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.402 ' HG3' ' OH ' ' A' ' 59' ' ' TYR . 22.8 mmt180 -120.54 153.76 36.28 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.217 0.509 . . . . 10.0 110.383 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.1 p -99.08 165.96 11.48 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.652 -0.499 . . . . 10.0 109.652 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.501 HD12 ' O ' ' A' ' 18' ' ' GLU . 97.4 mt -64.18 -32.36 73.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.027 0.441 . . . . 10.0 110.01 179.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.86 -22.25 64.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.17 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -70.0 -22.23 63.15 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.352 -0.386 . . . . 10.0 111.434 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.402 ' OH ' ' HG3' ' A' ' 54' ' ' ARG . 90.1 m-85 -113.94 11.45 17.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.63 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 61.5 30.98 19.03 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.387 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 85.9 mt -77.75 111.71 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.378 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -103.88 -165.23 1.13 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.855 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -71.25 150.3 45.38 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.928 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 64.49 17.74 10.99 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.625 -0.716 . . . . 10.0 112.535 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.6 m -79.96 141.35 36.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.688 0.28 . . . . 10.0 110.662 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.458 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 1.9 m -98.79 127.16 44.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.119 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -111.24 144.2 40.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.904 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -98.99 125.58 44.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.64 -0.254 . . . . 10.0 110.583 -179.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.4 tp -108.17 109.24 20.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.14 0.495 . . . . 10.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 28.4 t -107.71 146.5 13.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.643 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.5 mt . . . . . 0 C--N 1.325 -0.474 0 N-CA-C 110.241 -0.281 . . . . 10.0 110.241 179.959 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.4 ptt? . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 110.176 -0.305 . . . . 10.0 110.176 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -103.89 145.08 30.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.881 0.372 . . . . 10.0 111.25 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 18.3 pt -132.2 158.99 43.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.058 -0.519 . . . . 10.0 109.675 178.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -119.06 103.49 9.6 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.711 0.291 . . . . 10.0 110.422 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 37.0 t -93.0 120.34 42.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.162 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -99.92 151.7 21.01 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.781 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 12.4 p -127.3 160.97 29.71 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.361 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.562 HD23 ' HG3' ' D' ' 467' ' ' MET . 25.2 mt -62.7 -23.11 66.98 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.086 0.469 . . . . 10.0 110.906 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.41 -14.79 60.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.409 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.95 18.1 45.04 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.938 -0.649 . . . . 10.0 112.116 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -101.01 133.31 45.7 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.68 0.276 . . . . 10.0 110.552 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 21.8 m -101.32 119.51 38.87 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.228 -0.442 . . . . 10.0 109.912 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 26.1 mt -101.95 123.14 54.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.794 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.78 126.37 47.34 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.888 -0.597 . . . . 10.0 109.844 178.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.9 mt -136.83 151.23 48.9 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.005 0.431 . . . . 10.0 111.485 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -87.78 116.39 25.9 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.479 -0.782 . . . . 10.0 110.286 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 18.7 m -138.91 167.71 20.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.065 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.545 ' O ' HD12 ' B' ' 56' ' ' LEU . 10.3 mm-40 -139.07 158.88 68.74 Favored Pre-proline 0 C--N 1.32 -0.712 0 N-CA-C 108.927 -0.768 . . . . 10.0 108.927 179.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.29 -25.53 30.97 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.521 2.147 . . . . 10.0 113.287 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -87.01 1.14 53.82 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.249 0.462 . . . . 10.0 112.249 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -76.71 157.2 31.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.805 0.336 . . . . 10.0 110.405 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.451 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.2 OUTLIER -104.48 144.41 31.71 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.635 -179.15 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.406 HG12 ' O ' ' B' ' 54' ' ' ARG . 43.2 mm -56.31 -41.42 70.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-O 120.791 0.329 . . . . 10.0 110.689 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -60.85 -41.98 96.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.171 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -66.01 -38.12 87.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.376 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 22' ' ' THR . 94.8 t -59.34 -44.26 91.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -63.61 -35.22 79.81 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.308 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.36 -34.0 77.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.127 0.489 . . . . 10.0 109.926 178.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -69.91 -36.17 75.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.775 -0.648 . . . . 10.0 109.844 178.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 69.1 mt -70.2 -33.2 53.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.461 -0.57 . . . . 10.0 109.461 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -67.83 -23.59 65.19 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.57 -0.741 . . . . 10.0 110.303 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -73.38 -44.73 57.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.496 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -80.69 -53.13 6.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.809 -0.632 . . . . 10.0 112.103 -178.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -80.03 -60.69 2.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.622 0.248 . . . . 10.0 111.318 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.91 -5.47 13.84 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.474 -0.87 . . . . 10.0 112.402 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.2 mt -76.81 126.94 85.14 Favored Pre-proline 0 C--N 1.329 -0.314 0 N-CA-C 110.3 -0.259 . . . . 10.0 110.3 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 50.3 Cg_exo -55.12 138.05 78.01 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.851 2.367 . . . . 10.0 112.387 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 50.1 Cg_exo -55.58 -24.71 46.22 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.228 2.619 . . . . 10.0 113.093 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.05 -29.82 70.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.124 0.488 . . . . 10.0 111.02 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -100.76 5.64 43.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.037 -0.528 . . . . 10.0 110.953 -179.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -96.06 115.28 27.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.664 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.512 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 34.5 mtp180 -109.61 105.08 14.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.107 179.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 28.5 mt -90.57 123.33 34.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.008 0.432 . . . . 10.0 111.183 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -118.74 132.67 67.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.31 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.404 ' CB ' HD21 ' B' ' 50' ' ' LEU . 62.5 t80 -121.25 112.92 19.22 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.914 -0.585 . . . . 10.0 109.699 179.211 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.35 22.81 8.21 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.716 -0.674 . . . . 10.0 112.641 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.61 0.59 43.07 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.594 -0.812 . . . . 10.0 113.792 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -117.99 146.36 44.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 117.145 0.472 . . . . 10.0 110.401 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.418 HE21 ' HB3' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -84.08 142.56 30.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.94 0.4 . . . . 10.0 110.941 -179.527 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.404 HD21 ' CB ' ' B' ' 45' ' ' PHE . 30.8 mt -95.48 123.91 39.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.081 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.46 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 15.6 mt-10 -76.73 142.37 40.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.31 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.13 -54.33 21.41 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.951 0.723 . . . . 10.0 112.951 -178.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.59 51.38 4.4 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.001 -0.618 . . . . 10.0 113.99 -178.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.46 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 31.4 mmt180 -135.86 158.08 45.29 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.978 -0.379 . . . . 10.0 109.978 179.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.443 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 23.5 p -101.59 163.12 12.42 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.545 HD12 ' O ' ' B' ' 18' ' ' GLU . 90.4 mt -64.43 -29.93 70.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.008 0.432 . . . . 10.0 110.663 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 5.1 p -75.26 -16.45 60.45 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.877 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' B' ' 55' ' ' THR . 17.2 m-20 -68.71 -28.02 66.47 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.145 0.498 . . . . 10.0 110.612 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -108.45 16.15 23.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.601 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 57.63 33.81 23.71 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.537 -0.756 . . . . 10.0 112.161 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 76.2 mt -76.18 115.63 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 N-CA-C 109.581 -0.526 . . . . 10.0 109.581 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -101.18 -173.86 2.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.461 -178.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 44.1 pttt -66.43 137.63 56.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.658 -0.701 . . . . 10.0 111.131 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 61.91 65.01 0.94 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.915 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.0 m -119.41 146.78 45.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.563 -0.744 . . . . 10.0 110.453 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 92.5 m -91.02 127.9 36.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.979 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -119.26 137.61 53.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.474 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 28.4 m80 -102.28 120.83 41.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.875 0.369 . . . . 10.0 110.837 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 55.2 tp -102.02 97.62 7.93 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.891 -0.411 . . . . 10.0 109.891 179.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.512 ' HB ' ' HB2' ' B' ' 42' ' ' ARG . 70.1 t -76.57 119.47 24.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.278 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 27.6 mt -78.21 130.91 36.86 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.249 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.321 -0.656 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.978 0.418 . . . . 10.0 111.048 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 456' ' ' GLN . . . . . 0.482 ' O ' ' HB2' ' D' ' 460' ' ' MET . 69.8 mm-40 -66.77 -34.61 78.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.969 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.1 -49.02 66.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.788 0.327 . . . . 10.0 110.417 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -63.72 -42.88 97.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.561 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.79 -41.35 97.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.892 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 460' ' ' MET . . . . . 0.482 ' HB2' ' O ' ' D' ' 456' ' ' GLN . 9.5 ttm -64.76 -40.5 95.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.185 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -66.85 -30.17 70.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.865 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 53.3 t60 -60.94 -34.74 75.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.901 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -66.39 -38.62 87.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.847 179.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 57.5 mt -72.51 -35.4 51.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.706 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 41.8 tp60 -60.23 -31.17 69.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.05 0.453 . . . . 10.0 110.74 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -80.57 -23.8 39.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.805 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . 0.562 ' HG3' HD23 ' B' ' 8' ' ' LEU . 87.6 mmm -87.94 -33.79 18.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.832 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 468' ' ' PHE . . . . . 0.449 ' O ' HG12 ' D' ' 471' ' ' VAL . 0.1 OUTLIER -123.96 81.79 56.26 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.869 179.548 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -76.69 44.06 1.35 Allowed 'Trans proline' 0 CA--C 1.529 0.24 0 C-N-CA 123.134 2.556 . . . . 10.0 113.039 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -156.68 24.98 0.33 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.831 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 471' ' ' VAL . . . . . 0.449 HG12 ' O ' ' D' ' 468' ' ' PHE . 12.0 p -128.81 134.54 26.42 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.476 -0.329 . . . . 10.0 110.459 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 472' ' ' PRO . . . . . 0.442 ' HG2' HD12 ' D' ' 475' ' ' LEU . 32.4 Cg_exo -61.37 127.25 21.39 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.719 2.279 . . . . 10.0 112.09 179.179 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -52.71 -45.0 66.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.611 -0.722 . . . . 10.0 112.559 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 31.5 p-80 -62.92 -31.73 72.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.631 0.253 . . . . 10.0 111.572 -178.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 475' ' ' LEU . . . . . 0.442 HD12 ' HG2' ' D' ' 472' ' ' PRO . 13.2 mt -74.8 -31.6 61.76 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.857 -0.337 . . . . 10.0 110.191 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 476' ' ' VAL . . . . . 0.442 HG23 ' O ' ' D' ' 472' ' ' PRO . 35.5 t -67.92 -41.3 84.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 108.673 -0.862 . . . . 10.0 108.673 178.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.22 -28.7 70.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.342 -0.845 . . . . 10.0 110.445 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -62.53 -57.68 10.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.422 179.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 479' ' ' ASP . . . . . 0.49 ' HB3' HG23 ' D' ' 489' ' ' THR . 12.6 t70 -64.87 -34.55 78.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.511 -179.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.11 -28.9 66.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.146 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -85.7 -9.33 57.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.145 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 482' ' ' LEU . . . . . 0.483 ' HA ' HD13 ' D' ' 482' ' ' LEU . 2.1 mm? -105.92 -51.9 2.9 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.779 0.289 . . . . 10.0 111.779 -179.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 69.5 p -89.22 -37.2 15.16 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.598 0.222 . . . . 10.0 111.598 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 63.82 33.42 12.73 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.131 -0.486 . . . . 10.0 112.006 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 485' ' ' SER . . . . . 0.466 ' OG ' HG13 ' D' ' 488' ' ' ILE . 1.1 t -147.17 132.0 18.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.522 -0.308 . . . . 10.0 110.171 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 18.5 m -63.7 -36.21 75.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.23 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -66.16 -47.05 75.25 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.837 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 488' ' ' ILE . . . . . 0.466 HG13 ' OG ' ' D' ' 485' ' ' SER . 14.5 mt -69.03 -43.31 82.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 121.045 -0.262 . . . . 10.0 111.478 -179.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 489' ' ' THR . . . . . 0.506 ' O ' HG13 ' D' ' 493' ' ' ILE . 90.6 m -61.16 -53.19 60.05 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.897 0.332 . . . . 10.0 111.897 -179.109 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 2.8 m -62.22 -36.95 83.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.844 0.354 . . . . 10.0 110.938 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -68.18 -43.9 77.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.088 0.47 . . . . 10.0 109.957 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 492' ' ' ASN . . . . . 0.413 ' HB3' ' HB3' ' D' ' 497' ' ' ARG . 4.9 m-20 -54.12 -41.86 68.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.454 -0.794 . . . . 10.0 110.664 179.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 493' ' ' ILE . . . . . 0.506 HG13 ' O ' ' D' ' 489' ' ' THR . 56.8 mt -61.13 -45.16 99.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.65 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 3.6 mt -66.83 -34.45 77.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.764 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -73.92 -27.02 60.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.929 0.395 . . . . 10.0 110.965 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 111.66 24.24 5.35 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.591 -0.814 . . . . 10.0 112.87 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 497' ' ' ARG . . . . . 0.413 ' HB3' ' HB3' ' D' ' 492' ' ' ASN . 19.3 tpp180 -79.73 -40.49 28.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.238 0.542 . . . . 10.0 109.859 179.35 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 3.1 mp -97.15 127.7 49.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.429 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.872 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.549 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 23.3 ptt? . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 110.252 -0.277 . . . . 10.0 110.252 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -104.69 136.37 44.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.593 0.235 . . . . 10.0 110.941 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.5 pt -126.54 158.44 36.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 178.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -118.5 112.73 20.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.746 0.308 . . . . 10.0 111.201 -179.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.8 t -101.74 118.37 48.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.175 -0.466 . . . . 10.0 109.906 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -102.67 135.17 44.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.876 0.369 . . . . 10.0 111.033 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.7 p -101.41 174.61 5.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.674 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.7 mt -73.13 -13.48 61.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.979 0.419 . . . . 10.0 110.887 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 m -87.6 -14.02 41.24 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.107 0.48 . . . . 10.0 110.876 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.72 -13.7 53.53 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.964 -0.636 . . . . 10.0 111.777 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -65.39 121.42 14.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.948 0.404 . . . . 10.0 110.736 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.3 m -103.15 108.6 19.85 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.201 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.2 mt -91.09 126.74 43.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.166 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.6 m -98.32 110.36 22.96 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.697 -0.483 . . . . 10.0 109.697 179.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.8 mt -110.07 149.43 30.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.018 0.437 . . . . 10.0 111.274 -179.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -107.4 108.23 19.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.738 -0.664 . . . . 10.0 109.83 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.549 ' O ' ' HG2' ' A' ' 1' ' ' MET . 12.8 m -136.04 -176.98 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.919 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.528 ' O ' HD12 ' A' ' 56' ' ' LEU . 20.0 mm-40 -131.36 153.57 81.67 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 109.066 -0.716 . . . . 10.0 109.066 179.163 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -53.06 -27.88 38.28 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.542 2.161 . . . . 10.0 112.751 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -80.57 7.45 9.98 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.975 -179.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -89.66 150.75 22.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.773 0.32 . . . . 10.0 110.789 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -90.76 148.04 22.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.13 -0.487 . . . . 10.0 110.736 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 51.6 mm -57.44 -39.22 67.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.035 0.445 . . . . 10.0 110.488 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -60.71 -39.18 87.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.64 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -69.86 -38.0 76.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.35 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.4 t -61.88 -43.38 97.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 10.0 109.885 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -63.62 -35.62 81.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.512 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.33 -28.0 68.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.508 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -78.2 -28.69 48.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.844 -0.616 . . . . 10.0 109.819 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 75.0 mt -71.51 -33.99 51.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.031 -0.729 . . . . 10.0 109.031 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -70.64 -27.21 63.88 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.067 178.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -68.08 -36.22 79.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.025 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -88.03 -67.44 0.83 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.338 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -71.08 -59.14 2.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.304 -178.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.09 -4.47 11.35 Favored Glycine 0 C--O 1.229 -0.186 0 C-N-CA 120.878 -0.677 . . . . 10.0 112.149 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 24.1 mt -69.09 126.24 92.6 Favored Pre-proline 0 C--N 1.327 -0.396 0 N-CA-C 110.368 -0.234 . . . . 10.0 110.368 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.454 ' HB2' ' OD1' ' A' ' 39' ' ' ASP . 32.5 Cg_exo -57.27 145.24 88.24 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.657 2.238 . . . . 10.0 112.054 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 24.3 Cg_exo -61.91 -20.66 70.2 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.853 2.369 . . . . 10.0 113.243 -179.069 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.454 ' OD1' ' HB2' ' A' ' 37' ' ' PRO . 24.8 p30 -85.56 -12.08 52.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.906 0.384 . . . . 10.0 110.942 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -106.9 8.23 30.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.977 -0.556 . . . . 10.0 109.897 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 37' ' ' PRO . 77.3 mt-30 -104.12 125.6 50.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.451 -0.795 . . . . 10.0 110.687 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -120.5 95.37 4.7 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 178.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 mt -85.58 132.5 34.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.174 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 86.8 mt -124.44 135.2 64.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.107 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.528 ' HB3' HD21 ' A' ' 50' ' ' LEU . 87.8 t80 -138.0 125.14 21.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.383 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.77 29.03 18.16 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.026 -0.534 . . . . 10.0 112.078 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.5 3.01 86.91 Favored Glycine 0 C--N 1.329 0.167 0 C-N-CA 120.606 -0.807 . . . . 10.0 113.033 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -116.53 146.28 42.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.774 0.321 . . . . 10.0 110.457 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -84.96 138.34 32.54 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.748 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.528 HD21 ' HB3' ' A' ' 45' ' ' PHE . 31.9 mt -86.56 141.42 29.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.957 0.408 . . . . 10.0 111.113 -179.449 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.441 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 5.4 mt-10 -99.84 149.12 23.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.901 -0.59 . . . . 10.0 109.888 179.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.88 -43.01 99.72 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.028 0.751 . . . . 10.0 113.028 -178.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 30.83 3.15 Favored Glycine 0 CA--C 1.516 0.155 0 C-N-CA 120.828 -0.701 . . . . 10.0 113.748 -178.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.441 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 22.5 mmt180 -121.35 159.69 25.57 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.806 0.336 . . . . 10.0 110.531 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.426 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 15.7 p -106.03 165.91 10.87 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.49 178.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.528 HD12 ' O ' ' A' ' 18' ' ' GLU . 94.2 mt -65.08 -33.88 77.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.91 0.386 . . . . 10.0 110.205 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.32 -20.64 63.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.286 179.609 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 55' ' ' THR . 14.7 m-20 -65.41 -37.66 87.61 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.009 0.433 . . . . 10.0 110.475 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -98.09 9.96 41.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.563 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 56.9 t30 63.17 29.91 16.01 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.426 -0.806 . . . . 10.0 110.901 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 86.3 mt -74.56 125.09 33.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.815 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -119.83 -163.52 1.0 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.856 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.445 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 61.7 pttt -73.49 148.63 42.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.05 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 68.51 12.13 8.6 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.375 -0.83 . . . . 10.0 112.136 179.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.4 m -78.24 143.39 37.14 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 110.119 -0.326 . . . . 10.0 110.119 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 m -99.75 132.07 45.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.372 -0.377 . . . . 10.0 111.227 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -121.27 135.78 55.07 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 47.6 m80 -98.52 132.61 43.81 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.625 0.25 . . . . 10.0 110.601 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.9 tp -112.42 111.66 22.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.74 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.7 t -98.72 132.77 43.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.894 -0.593 . . . . 10.0 109.896 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 94.5 mt . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.266 -0.424 . . . . 10.0 111.023 -179.778 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.0 ptt? . . . . . 0 N--CA 1.477 0.896 0 N-CA-C 109.527 -0.545 . . . . 10.0 109.527 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -113.37 156.27 23.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.995 0.426 . . . . 10.0 111.19 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.1 pt -133.72 159.91 42.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.5 -0.773 . . . . 10.0 109.817 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -111.15 95.88 5.8 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.973 0.416 . . . . 10.0 110.791 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 40.2 t -81.75 107.29 13.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -101.19 143.41 31.31 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.728 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.3 p -116.18 163.84 15.37 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.583 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.477 HD23 ' HG3' ' D' ' 467' ' ' MET . 10.1 mt -61.89 -20.63 63.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.097 -0.501 . . . . 10.0 111.56 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.29 1.64 52.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.848 0.356 . . . . 10.0 111.63 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.7 23.89 61.38 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.854 -0.688 . . . . 10.0 113.378 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -102.39 121.36 42.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.907 0.353 . . . . 10.0 110.396 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.8 m -97.21 115.55 27.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.906 0.384 . . . . 10.0 110.105 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 mt -109.27 135.24 48.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 120.804 0.335 . . . . 10.0 111.069 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.97 137.58 51.51 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.103 -0.499 . . . . 10.0 109.809 178.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.5 mt -145.34 148.55 33.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.773 0.321 . . . . 10.0 110.962 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -72.11 123.23 22.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.103 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.439 ' HB ' HD11 ' B' ' 56' ' ' LEU . 3.4 m -136.49 142.09 39.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.963 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.577 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 7.8 mm-40 -103.44 162.53 19.73 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 115.879 -0.601 . . . . 10.0 109.901 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -60.19 -32.34 94.32 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 121.959 1.773 . . . . 10.0 111.573 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.48 10.51 27.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.534 -0.757 . . . . 10.0 111.81 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.577 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.3 OUTLIER -74.82 112.44 11.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.578 -0.283 . . . . 10.0 110.31 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.44 145.47 49.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.397 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.4 mm -53.66 -34.95 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.922 0.392 . . . . 10.0 110.661 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -61.07 -36.28 79.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.731 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.435 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 64.4 t30 -77.35 -36.23 53.96 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.781 -0.452 . . . . 10.0 109.781 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.2 t -60.82 -44.99 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.163 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -63.06 -29.03 70.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.842 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.26 -35.01 71.24 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.024 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 40.7 mttt -69.24 -35.16 75.84 Favored 'General case' 0 C--N 1.334 -0.073 0 CA-C-N 116.022 -0.535 . . . . 10.0 109.894 179.163 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 78.7 mt -66.12 -39.17 83.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.792 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -69.84 -23.99 63.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.228 0.537 . . . . 10.0 109.922 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -69.68 -35.18 74.91 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.267 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -93.28 -52.34 4.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.979 -0.555 . . . . 10.0 112.242 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -80.77 -45.17 17.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.911 0.386 . . . . 10.0 111.897 -178.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.53 -18.46 38.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.813 -0.708 . . . . 10.0 112.001 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 74.0 mt -64.13 124.03 84.1 Favored Pre-proline 0 C--N 1.329 -0.325 0 C-N-CA 122.219 0.208 . . . . 10.0 110.524 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 52.7 Cg_exo -54.0 140.35 69.66 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.846 2.364 . . . . 10.0 112.501 179.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 41.4 Cg_exo -58.16 -23.71 62.96 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.983 2.455 . . . . 10.0 112.862 -179.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -67.27 -26.38 66.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.125 0.488 . . . . 10.0 111.146 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -97.69 6.73 47.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.504 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -100.49 113.42 26.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.262 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.48 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 15.5 ttt180 -109.8 104.67 13.66 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.938 -0.764 . . . . 10.0 108.938 178.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 11.1 mt -89.9 128.63 36.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.458 -177.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -125.81 134.35 66.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.402 -0.817 . . . . 10.0 110.56 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.431 ' HB3' HD21 ' B' ' 50' ' ' LEU . 38.7 t80 -129.44 123.59 31.97 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.996 -0.742 . . . . 10.0 108.996 178.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.35 23.56 13.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.848 -0.614 . . . . 10.0 111.367 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.06 10.85 65.82 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.854 -0.688 . . . . 10.0 113.45 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -125.42 152.1 45.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 117.042 0.421 . . . . 10.0 110.954 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -78.69 148.7 33.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.436 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.431 HD21 ' HB3' ' B' ' 45' ' ' PHE . 33.5 mt -105.85 143.01 34.6 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.792 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.431 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 16.1 mt-10 -85.49 143.99 28.21 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 178.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.23 -38.3 79.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.772 0.32 . . . . 10.0 111.813 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.08 46.32 3.06 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 121.022 -0.608 . . . . 10.0 113.048 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.431 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 21.8 mmt180 -128.4 158.09 39.25 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.366 -0.235 . . . . 10.0 110.366 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 7.1 p -108.28 168.91 8.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.319 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.439 HD11 ' HB ' ' B' ' 17' ' ' VAL . 85.4 mt -65.22 -40.22 93.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.05 0.453 . . . . 10.0 111.106 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.39 -16.39 62.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.685 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -68.3 -36.85 79.97 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.053 0.454 . . . . 10.0 110.601 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -100.25 14.66 30.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.052 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 64.9 t30 57.12 47.5 17.14 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.158 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.0 mt -82.4 116.57 26.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -91.74 -178.36 5.03 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.472 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -76.06 150.64 37.28 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.261 -0.274 . . . . 10.0 110.261 179.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 62.14 35.12 15.86 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 123.564 0.54 . . . . 10.0 111.502 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 26.6 m -96.53 147.28 24.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.938 0.399 . . . . 10.0 110.813 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 49.0 m -87.27 129.04 35.14 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.789 -0.641 . . . . 10.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 4.2 mp -110.82 123.96 51.1 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.57 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 34.5 m80 -88.08 112.58 22.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.046 0.451 . . . . 10.0 111.045 -179.145 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 53.8 tp -100.69 96.79 7.57 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.045 -0.525 . . . . 10.0 109.906 179.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.48 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 89.0 t -77.31 127.01 38.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.249 -179.34 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 30.2 mt -90.07 141.22 28.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.679 -0.691 . . . . 10.0 109.69 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.434 0 CA-C-O 120.772 0.32 . . . . 10.0 111.008 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.593 0.235 . . . . 10.0 111.276 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -65.4 -40.46 93.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.888 0.375 . . . . 10.0 110.486 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 84.8 mt -68.75 -38.13 79.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.222 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -65.33 -47.86 75.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.922 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.25 -33.97 76.65 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.798 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 22.2 ttm -68.44 -39.04 81.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.247 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -66.23 -34.49 78.12 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.193 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -57.1 -35.53 69.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.542 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -65.21 -40.03 93.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.517 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 32.8 mt -77.33 -28.62 16.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.611 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -65.18 -26.98 68.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.082 0.467 . . . . 10.0 110.149 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -82.54 -23.71 34.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.784 -0.643 . . . . 10.0 110.269 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . 0.57 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 27.4 mmm -86.08 -36.55 19.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.354 -0.839 . . . . 10.0 110.579 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 468' ' ' PHE . . . . . 0.446 ' O ' HG12 ' D' ' 471' ' ' VAL . 8.8 m-85 -126.72 80.8 69.91 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.389 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -76.78 32.46 0.42 Allowed 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 122.609 2.206 . . . . 10.0 112.744 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -134.27 10.12 3.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.029 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 471' ' ' VAL . . . . . 0.446 HG12 ' O ' ' D' ' 468' ' ' PHE . 13.9 p -122.18 135.6 25.59 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.359 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 472' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -58.25 135.08 65.85 Favored 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 122.677 2.251 . . . . 10.0 112.713 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -56.12 -41.48 75.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.506 -0.77 . . . . 10.0 112.542 -178.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 40.2 p-80 -64.46 -30.89 71.92 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.689 0.255 . . . . 10.0 111.689 -178.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 475' ' ' LEU . . . . . 0.404 ' O ' ' HB3' ' D' ' 478' ' ' GLN . 31.0 mt -74.78 -32.84 62.14 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.753 0.311 . . . . 10.0 110.476 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 34.8 t -68.73 -42.76 83.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 108.951 -0.759 . . . . 10.0 108.951 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 2.3 mt -66.03 -22.5 66.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.364 -0.835 . . . . 10.0 110.93 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 478' ' ' GLN . . . . . 0.409 HE21 ' HB3' ' D' ' 478' ' ' GLN . 3.8 tt0 -65.65 -50.76 63.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.288 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 479' ' ' ASP . . . . . 0.561 ' HB3' HG23 ' D' ' 489' ' ' THR . 14.7 t70 -69.47 -32.81 71.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.222 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 480' ' ' LEU . . . . . 0.568 ' O ' ' HG3' ' D' ' 484' ' ' ARG . 0.3 OUTLIER -61.35 -22.33 64.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.824 179.255 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -91.81 4.47 52.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.143 -0.481 . . . . 10.0 111.021 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.14 -48.27 1.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.809 0.337 . . . . 10.0 110.853 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 67.7 p -93.5 -42.89 8.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.476 -0.329 . . . . 10.0 111.196 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 484' ' ' ARG . . . . . 0.568 ' HG3' ' O ' ' D' ' 480' ' ' LEU . 1.8 mpt_? 64.74 35.78 8.55 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.782 -0.645 . . . . 10.0 111.294 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 4.0 t -151.53 129.67 11.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.78 0.324 . . . . 10.0 110.988 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 35.1 m -68.37 -26.11 32.97 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-O 121.038 0.447 . . . . 10.0 110.465 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -74.23 -5.35 41.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.741 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 40.7 mt -117.0 -51.81 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.857 179.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 489' ' ' THR . . . . . 0.561 HG23 ' HB3' ' D' ' 479' ' ' ASP . 46.0 m -52.98 -48.33 67.54 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.675 0.62 . . . . 10.0 112.675 -179.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 1.4 m -60.98 -41.93 97.37 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.675 0.25 . . . . 10.0 111.675 -178.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -71.1 -36.74 72.31 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -56.32 -40.26 74.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.237 -0.892 . . . . 10.0 110.641 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 493' ' ' ILE . . . . . 0.445 HG13 ' O ' ' D' ' 489' ' ' THR . 75.4 mt -66.46 -40.97 87.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.775 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 12.3 mt -65.9 -38.09 87.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.486 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -73.02 -43.97 61.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.1 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 124.47 32.03 0.86 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.561 -0.828 . . . . 10.0 112.139 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -84.27 -28.8 26.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.438 0.637 . . . . 10.0 109.465 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 3.7 mp -108.27 136.36 44.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.189 -0.914 . . . . 10.0 109.325 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 . . . . . 0 C--N 1.328 -0.353 0 O-C-N 123.328 0.393 . . . . 10.0 111.045 -179.792 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 120.801 0.334 . . . . 10.0 110.214 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -104.05 142.56 34.24 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.553 -0.294 . . . . 10.0 110.956 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.4 pt -132.75 166.17 30.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.508 -0.552 . . . . 10.0 109.508 178.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.494 ' O ' ' HA ' ' A' ' 66' ' ' THR . 43.1 m-85 -120.87 131.41 54.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.562 0.22 . . . . 10.0 110.565 -179.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 63.2 t -115.83 124.33 72.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.97 -0.382 . . . . 10.0 109.97 179.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.1 tttp -104.27 129.59 52.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.99 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.71 167.36 11.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.093 -0.503 . . . . 10.0 109.99 179.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.9 mt -60.36 -27.6 67.52 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 111.847 0.314 . . . . 10.0 111.847 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.6 p -77.01 -14.28 59.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.95 0.405 . . . . 10.0 111.563 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.44 -9.84 42.04 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.925 -0.655 . . . . 10.0 111.712 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -62.69 139.9 58.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.676 0.274 . . . . 10.0 110.846 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -120.83 117.85 28.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.519 -0.309 . . . . 10.0 110.296 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mp -108.54 134.43 50.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.585 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.97 137.26 32.5 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.789 -0.449 . . . . 10.0 109.789 179.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.445 HD11 HG12 ' A' ' 30' ' ' ILE . 92.8 mt -133.74 142.8 48.11 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.994 0.426 . . . . 10.0 111.52 -179.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -98.33 112.41 24.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.628 -0.714 . . . . 10.0 109.263 178.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.6 m -138.05 -175.56 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.912 -0.585 . . . . 10.0 109.852 -179.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.502 ' O ' HD12 ' A' ' 56' ' ' LEU . 7.2 mm-40 -139.55 154.04 71.04 Favored Pre-proline 0 C--N 1.316 -0.864 0 N-CA-C 108.754 -0.832 . . . . 10.0 108.754 178.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.0 -29.96 56.98 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.01 1.807 . . . . 10.0 112.338 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 p -83.57 -0.34 49.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.849 -0.614 . . . . 10.0 112.158 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -76.5 142.46 40.9 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.018 0.437 . . . . 10.0 110.571 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.4 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -83.21 146.66 28.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.55 179.639 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.584 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 46.3 mm -56.81 -42.58 78.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.859 0.361 . . . . 10.0 110.298 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -62.1 -35.8 79.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.896 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -67.28 -32.8 74.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.05 0.452 . . . . 10.0 109.795 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 22' ' ' THR . 53.8 t -69.78 -34.94 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.403 178.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 10.3 mmmm -59.66 -39.35 84.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.609 179.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.9 -33.48 75.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.511 -0.768 . . . . 10.0 110.605 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -70.51 -40.89 73.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.815 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.445 HG12 HD11 ' A' ' 15' ' ' LEU . 71.4 mt -67.66 -39.4 82.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.932 -0.576 . . . . 10.0 109.604 178.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -62.41 -36.0 80.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.584 -0.735 . . . . 10.0 111.214 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.1 -33.41 75.95 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.479 -0.328 . . . . 10.0 111.66 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -92.67 -55.29 3.43 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.163 0.431 . . . . 10.0 112.163 -178.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -72.26 -32.25 66.5 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.441 0.534 . . . . 10.0 112.441 -178.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.63 9.84 84.13 Favored Glycine 0 C--O 1.229 -0.188 0 C-N-CA 120.482 -0.866 . . . . 10.0 111.362 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.4 mt -95.1 128.27 39.53 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.51 -0.345 . . . . 10.0 110.252 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.17 145.59 53.45 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.679 2.253 . . . . 10.0 112.357 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.41 -22.64 59.61 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.038 2.492 . . . . 10.0 112.585 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -70.19 -31.02 68.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.727 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -89.56 -8.86 51.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.899 -0.591 . . . . 10.0 111.329 -179.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.4 ' HB2' ' CE ' ' A' ' 27' ' ' LYS . 78.6 mt-30 -88.41 105.54 17.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.389 -179.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.409 ' HB3' ' HB ' ' A' ' 70' ' ' VAL . 11.3 ttt180 -105.22 98.25 7.98 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.198 -0.667 . . . . 10.0 109.198 178.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.423 ' HB3' HD12 ' A' ' 50' ' ' LEU . 29.7 mt -84.12 131.45 34.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.829 -179.094 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 83.4 mt -132.24 135.04 58.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.666 -0.697 . . . . 10.0 109.977 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.482 ' HB3' HD21 ' A' ' 50' ' ' LEU . 70.7 t80 -138.38 126.09 22.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.334 -0.394 . . . . 10.0 109.954 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.01 26.89 16.24 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.489 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.55 -2.88 87.83 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 116.012 -0.54 . . . . 10.0 112.65 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -103.61 138.7 39.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.77 0.319 . . . . 10.0 110.588 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -78.72 133.09 37.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.21 -0.45 . . . . 10.0 109.811 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.482 HD21 ' HB3' ' A' ' 45' ' ' PHE . 25.6 mt -88.85 119.13 29.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.993 0.425 . . . . 10.0 111.209 -179.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.69 136.81 36.25 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.331 179.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.3 -33.27 67.51 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.519 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.48 48.41 3.56 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.98 -0.628 . . . . 10.0 112.892 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.9 mmt-85 -144.42 170.61 15.69 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.7 p -113.81 167.6 10.5 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.91 -0.404 . . . . 10.0 109.91 178.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.502 HD12 ' O ' ' A' ' 18' ' ' GLU . 57.1 mt -64.58 -33.64 76.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.045 0.45 . . . . 10.0 110.412 179.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -27.7 69.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.645 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -65.82 -38.71 89.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.722 -178.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -96.77 9.5 41.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.536 -0.302 . . . . 10.0 111.102 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 61.0 36.21 18.69 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.794 0.684 . . . . 10.0 110.899 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 83.3 mt -78.69 107.1 10.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.175 0.512 . . . . 10.0 110.283 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -86.87 -175.01 5.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.464 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -76.5 153.5 35.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.739 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 60.34 32.54 20.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.762 -0.654 . . . . 10.0 112.189 179.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.6 m -95.42 144.13 26.19 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.966 -0.383 . . . . 10.0 109.966 178.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.494 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 53.4 m -98.33 121.44 40.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.972 0.415 . . . . 10.0 110.868 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.0 mp -104.85 149.14 25.92 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.188 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -98.35 134.93 40.67 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.144 -0.317 . . . . 10.0 110.144 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.3 tp -119.64 109.41 15.64 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.992 0.425 . . . . 10.0 110.688 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.409 ' HB ' ' HB3' ' A' ' 42' ' ' ARG . 15.5 t -100.1 143.05 14.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.028 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.5 mt . . . . . 0 C--N 1.325 -0.477 0 N-CA-C 110.139 -0.319 . . . . 10.0 110.139 179.846 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 110.136 -0.32 . . . . 10.0 110.136 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -114.75 137.41 51.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.632 0.253 . . . . 10.0 111.017 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 25.2 pt -127.29 161.75 33.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.425 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -113.28 125.91 54.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 43.0 t -110.81 122.33 65.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.44 ' HD3' ' SD ' ' D' ' 467' ' ' MET . 19.0 tttp -104.69 144.01 32.3 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.861 -179.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.2 p -119.1 169.08 10.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.694 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.404 HD21 ' CG2' ' D' ' 490' ' ' THR . 60.9 mt -65.4 -22.02 66.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.825 -179.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.6 p -80.25 -10.32 59.75 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.974 0.416 . . . . 10.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.79 -6.6 62.6 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.045 -0.597 . . . . 10.0 112.305 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -69.15 126.84 31.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.888 0.375 . . . . 10.0 110.835 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.86 110.66 22.49 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.749 179.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.4 mt -104.51 142.01 18.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.497 -0.32 . . . . 10.0 111.083 -178.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -106.75 129.25 54.66 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 178.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 94.4 mt -126.8 142.28 51.59 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.172 0.51 . . . . 10.0 111.98 -178.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -85.25 115.15 22.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.303 -0.862 . . . . 10.0 109.786 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 17.1 m -135.46 176.13 9.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.35 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.462 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 6.6 mm-40 -138.84 162.35 53.21 Favored Pre-proline 0 C--N 1.316 -0.856 0 N-CA-C 108.923 -0.769 . . . . 10.0 108.923 179.077 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.516 ' O ' ' HB ' ' B' ' 55' ' ' THR . 50.5 Cg_exo -54.43 -35.87 86.15 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.084 1.856 . . . . 10.0 112.552 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.88 -7.53 58.02 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.339 0.496 . . . . 10.0 112.339 -179.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.8 OUTLIER -66.29 122.67 18.02 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 110.07 -0.345 . . . . 10.0 110.07 -179.546 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.8 143.72 41.74 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.043 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 48.3 mm -52.88 -36.71 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 O-C-N 123.291 0.37 . . . . 10.0 111.365 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -62.68 -43.81 97.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.966 0.412 . . . . 10.0 110.672 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.472 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 63.2 t30 -63.46 -36.04 82.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.61 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 41.5 t -61.5 -41.85 91.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.066 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -66.8 -32.3 73.49 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.33 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.96 -35.21 80.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.257 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 26.7 mttt -66.52 -38.16 86.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.703 178.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 62.4 mt -69.14 -33.48 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.587 -0.733 . . . . 10.0 109.949 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -66.84 -31.93 72.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.878 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -82.34 -38.76 23.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.797 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -73.0 -53.63 10.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.88 -0.6 . . . . 10.0 112.425 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -93.65 -46.9 7.05 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.765 0.283 . . . . 10.0 111.765 -178.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.33 -3.13 25.16 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.529 -0.843 . . . . 10.0 111.906 -179.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 64.1 mt -72.36 127.34 90.31 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.636 -0.282 . . . . 10.0 110.272 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -57.91 141.97 96.25 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.537 2.158 . . . . 10.0 112.001 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -59.82 -26.33 81.93 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.389 2.06 . . . . 10.0 111.997 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -66.17 -19.74 65.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.544 -0.753 . . . . 10.0 111.395 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -108.36 11.6 26.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.881 0.372 . . . . 10.0 110.759 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -106.93 106.55 17.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.337 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.408 ' O ' ' HB ' ' B' ' 70' ' ' VAL . 53.4 mtp180 -108.54 100.14 9.44 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.956 -0.757 . . . . 10.0 108.956 178.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 15.9 mt -79.35 121.74 25.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.054 0.454 . . . . 10.0 111.461 -178.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -117.83 133.34 64.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.452 -0.794 . . . . 10.0 110.202 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.61 ' HB3' HD21 ' B' ' 50' ' ' LEU . 81.8 t80 -132.45 120.74 22.36 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.11 -0.7 . . . . 10.0 109.11 178.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.25 16.48 10.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.766 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.16 -3.59 55.12 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 120.814 -0.707 . . . . 10.0 113.604 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' B' ' 45' ' ' PHE . 9.9 ptmt -117.26 156.37 27.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 117.185 0.492 . . . . 10.0 110.849 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -86.63 146.38 26.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.709 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.61 HD21 ' HB3' ' B' ' 45' ' ' PHE . 19.7 mt -97.62 132.88 42.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.364 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.486 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 36.1 mt-10 -81.91 149.88 28.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.115 179.513 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.14 -35.37 80.3 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.037 0.384 . . . . 10.0 112.037 -178.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.71 28.89 3.42 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 120.916 -0.659 . . . . 10.0 113.512 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.486 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 16.4 mmt180 -128.16 164.72 21.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 117.165 0.483 . . . . 10.0 110.143 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.516 ' HB ' ' O ' ' B' ' 19' ' ' PRO . 11.9 p -111.36 169.59 8.69 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.048 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 21.7 mt -67.25 -33.85 76.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.921 0.391 . . . . 10.0 111.261 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -22.04 63.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.403 -0.362 . . . . 10.0 111.27 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -63.45 -45.47 90.71 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 121.009 0.433 . . . . 10.0 110.957 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -87.28 15.31 6.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.38 -179.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 t30 59.84 40.19 19.65 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.379 0.609 . . . . 10.0 110.921 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 61.9 mt -93.24 128.49 44.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.771 -0.65 . . . . 10.0 110.031 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -118.65 -164.69 1.05 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.3 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -73.03 156.92 38.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.685 -0.234 . . . . 10.0 110.756 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 68.5 9.94 7.58 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.75 0.657 . . . . 10.0 112.119 178.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 14.8 m -82.77 147.73 28.24 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.304 -0.258 . . . . 10.0 110.304 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.0 m -106.15 128.66 54.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.47 -0.332 . . . . 10.0 111.159 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -108.16 135.62 49.19 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.822 -0.626 . . . . 10.0 109.468 179.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.476 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 33.5 m80 -89.96 113.66 25.35 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.872 -179.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 49.0 tp -91.18 90.92 8.0 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.693 -0.484 . . . . 10.0 109.693 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.833 HG13 ' HB ' ' D' ' 490' ' ' THR . 25.2 t -76.37 113.35 15.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.035 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 51.5 mt -81.96 138.59 34.92 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.888 -0.782 . . . . 10.0 108.888 178.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.318 -0.763 0 CA-C-O 121.033 0.444 . . . . 10.0 111.349 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 121.015 0.436 . . . . 10.0 110.888 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -67.79 -36.68 80.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.679 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 70.9 mt -66.18 -40.79 90.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.463 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -61.55 -48.43 81.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.627 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.74 -44.18 94.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.692 -0.686 . . . . 10.0 111.263 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 56.8 mtm -64.59 -34.65 78.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.969 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.87 -38.79 92.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.948 0.404 . . . . 10.0 110.108 179.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -62.03 -37.69 85.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.94 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -58.74 -45.71 89.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.521 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 464' ' ' ILE . . . . . 0.548 HD11 HG12 ' D' ' 486' ' ' VAL . 40.7 mt -72.34 -32.08 41.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.72 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 50.8 tp60 -60.83 -36.01 77.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.007 0.432 . . . . 10.0 110.782 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -81.31 -7.69 59.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.718 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . 0.476 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 86.3 mmm -99.22 -32.47 11.2 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.311 0.577 . . . . 10.0 110.174 179.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 468' ' ' PHE . . . . . 0.437 ' O ' HG12 ' D' ' 471' ' ' VAL . 2.3 m-85 -129.11 84.93 61.26 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.948 -0.569 . . . . 10.0 109.982 179.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.06 37.29 0.58 Allowed 'Trans proline' 0 CA--C 1.531 0.332 0 C-N-CA 122.584 2.189 . . . . 10.0 113.194 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -140.37 12.53 2.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.929 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 471' ' ' VAL . . . . . 0.437 HG12 ' O ' ' D' ' 468' ' ' PHE . 9.4 p -125.04 133.81 25.15 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.51 -0.313 . . . . 10.0 110.43 -179.545 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 472' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.53 136.4 67.15 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.785 2.323 . . . . 10.0 112.406 179.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -55.59 -42.61 75.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.844 -0.616 . . . . 10.0 112.294 -178.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 34.8 p-80 -66.06 -27.99 68.5 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.133 -0.227 . . . . 10.0 111.584 -179.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 14.2 mt -74.88 -34.99 62.3 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.803 -0.443 . . . . 10.0 109.803 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 48.2 t -67.86 -43.01 86.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.389 0.614 . . . . 10.0 109.665 178.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . 0.451 ' O ' ' HG3' ' D' ' 481' ' ' GLN . 9.4 mt -62.38 -26.58 68.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.337 -0.847 . . . . 10.0 111.03 179.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -67.46 -48.7 66.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.403 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -63.75 -38.07 89.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.464 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -59.63 -19.7 50.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.739 -0.664 . . . . 10.0 112.116 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 481' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' D' ' 477' ' ' LEU . 74.9 mt-30 -86.8 -18.94 29.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.52 0.2 . . . . 10.0 110.967 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -102.68 -45.94 4.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.515 -0.311 . . . . 10.0 111.375 -179.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 65.3 p -85.48 -49.91 7.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.72 0.295 . . . . 10.0 111.07 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 484' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' D' ' 484' ' ' ARG . 33.2 mtt180 68.56 19.03 8.8 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.271 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 2.7 m -141.14 116.37 10.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.555 -0.748 . . . . 10.0 109.58 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 486' ' ' VAL . . . . . 0.548 HG12 HD11 ' D' ' 464' ' ' ILE . 16.9 m -58.73 -28.87 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 112.273 0.471 . . . . 10.0 112.273 -178.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -66.1 -19.36 65.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.329 . . . . 10.0 111.742 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 23.0 mt -95.53 -38.56 8.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.668 0.271 . . . . 10.0 110.57 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 6.8 m -57.68 -41.31 81.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.914 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 490' ' ' THR . . . . . 0.833 ' HB ' HG13 ' B' ' 70' ' ' VAL . 0.2 OUTLIER -59.82 -50.0 75.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.877 0.37 . . . . 10.0 111.34 -179.861 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 491' ' ' ASP . . . . . 0.561 ' O ' ' HG2' ' D' ' 495' ' ' GLU . 2.6 t70 -66.2 -39.79 89.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.82 -0.627 . . . . 10.0 109.994 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -54.23 -41.41 68.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.5 -0.773 . . . . 10.0 111.437 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 98.3 mt -66.85 -44.36 89.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.294 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 1.9 mt -66.17 -37.6 86.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.394 -0.367 . . . . 10.0 111.671 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 495' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' D' ' 491' ' ' ASP . 40.3 mm-40 -70.74 -59.23 2.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.906 0.384 . . . . 10.0 110.753 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 145.28 26.1 0.1 Allowed Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.274 -0.965 . . . . 10.0 112.979 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -76.79 -39.23 52.21 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 39.4 mt -107.87 109.74 29.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.288 179.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.354 -179.142 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.465 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 22.2 ptt? . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 109.996 -0.372 . . . . 10.0 109.996 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -101.82 138.31 38.96 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.913 0.387 . . . . 10.0 111.998 -178.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.1 pt -123.7 161.35 26.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.017 -0.734 . . . . 10.0 109.017 178.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.463 ' O ' ' HA ' ' A' ' 66' ' ' THR . 95.3 m-85 -117.93 113.03 21.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.983 0.42 . . . . 10.0 111.282 -178.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.2 t -103.74 122.62 56.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.756 -0.461 . . . . 10.0 109.756 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -101.6 131.69 47.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.066 0.46 . . . . 10.0 111.599 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.2 164.54 14.93 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.892 179.209 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.472 HD11 ' H ' ' A' ' 71' ' ' LEU . 65.4 mt -63.74 -26.61 68.73 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.902 0.334 . . . . 10.0 111.902 -179.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.55 -13.41 60.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.732 0.301 . . . . 10.0 111.602 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.09 -7.83 35.57 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.845 -0.693 . . . . 10.0 112.242 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -69.28 148.2 50.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.854 0.359 . . . . 10.0 111.042 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -119.35 129.87 55.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.154 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.4 mt -113.12 134.66 55.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.995 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.77 125.27 45.65 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.394 179.228 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.6 mt -123.72 139.79 53.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.992 0.425 . . . . 10.0 111.405 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -97.48 103.14 15.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.476 -0.784 . . . . 10.0 108.986 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.465 ' O ' ' HG2' ' A' ' 1' ' ' MET . 15.6 m -132.27 174.63 12.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.358 -178.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.48 ' O ' HD12 ' A' ' 56' ' ' LEU . 74.4 mm-40 -128.78 156.12 78.2 Favored Pre-proline 0 C--N 1.32 -0.696 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 179.123 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -49.86 -38.28 47.39 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 122.804 2.336 . . . . 10.0 113.684 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 m -83.4 12.42 5.52 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.443 0.534 . . . . 10.0 112.443 -179.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 5.1 t0 -81.4 142.24 33.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.9 0.381 . . . . 10.0 110.309 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.29 144.08 30.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.944 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 54' ' ' ARG . 47.6 mm -58.7 -41.57 82.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.795 0.331 . . . . 10.0 110.439 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -58.35 -36.84 74.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.428 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.472 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 64.9 t30 -68.01 -38.73 82.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.992 179.505 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.0 t -63.37 -41.19 91.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.941 179.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -60.15 -39.94 88.12 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.065 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.18 -37.83 88.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.573 -0.74 . . . . 10.0 110.582 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 86.0 mttt -64.94 -34.96 79.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.34 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 79.6 mt -70.1 -39.46 77.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 116.152 -0.476 . . . . 10.0 109.981 178.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -63.57 -41.06 98.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.647 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -64.1 -26.67 68.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.359 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -91.84 -61.52 1.61 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.708 0.632 . . . . 10.0 112.708 -179.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -86.34 -22.27 26.79 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.442 0.904 . . . . 10.0 113.442 -177.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.57 46.26 7.45 Favored Glycine 0 C--N 1.324 -0.123 0 C-N-CA 120.455 -0.878 . . . . 10.0 112.244 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.0 mt -118.96 123.96 28.61 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 110.208 -0.293 . . . . 10.0 110.208 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.402 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 73.8 Cg_exo -49.75 131.0 28.13 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.885 2.39 . . . . 10.0 112.175 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 50.6 Cg_exo -53.94 -37.73 85.92 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.099 2.533 . . . . 10.0 112.919 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.37 -15.03 63.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.999 0.428 . . . . 10.0 111.48 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -100.27 -4.03 30.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.076 -179.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -91.72 132.34 36.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.179 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -122.32 96.18 4.94 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 178.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 69.9 mt -87.62 117.38 26.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.699 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mp -119.07 132.3 69.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.381 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -129.42 119.61 24.11 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.721 -0.672 . . . . 10.0 109.436 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.95 36.08 12.87 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.307 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.2 0.02 85.08 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.998 -0.62 . . . . 10.0 113.686 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -118.15 135.89 53.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 117.325 0.563 . . . . 10.0 110.872 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -76.7 144.77 39.14 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.0 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 44.9 mt -91.32 136.51 33.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.299 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -82.92 134.53 35.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.137 -0.483 . . . . 10.0 109.863 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -59.34 -37.69 78.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.949 -178.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.1 22.29 6.16 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 121.226 -0.511 . . . . 10.0 113.382 -178.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.408 ' O ' HG12 ' A' ' 23' ' ' ILE . 55.5 mmt-85 -124.41 169.85 11.43 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.075 0.437 . . . . 10.0 110.647 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.1 p -110.25 172.88 6.6 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.779 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 18' ' ' GLU . 90.3 mt -67.43 -32.52 73.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.067 0.46 . . . . 10.0 110.279 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.51 -22.95 65.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.734 -0.666 . . . . 10.0 111.173 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -66.02 -27.18 67.92 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.428 -179.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -112.5 10.42 19.67 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.22 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.7 t30 56.54 37.69 29.02 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.371 -0.831 . . . . 10.0 111.363 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 72.7 mt -74.72 116.85 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.07 -0.514 . . . . 10.0 109.734 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -97.17 -169.82 1.92 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.704 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -79.86 151.44 30.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.684 0.278 . . . . 10.0 111.38 -179.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 67.5 23.37 9.01 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.305 -0.861 . . . . 10.0 111.88 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.3 m -86.77 142.81 27.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.059 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 2.9 m -96.06 126.19 41.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.404 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -114.62 143.98 44.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.69 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -97.34 126.8 42.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.721 0.296 . . . . 10.0 110.648 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.8 tp -107.95 101.41 10.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.367 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.4 t -96.18 141.2 15.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.109 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.472 ' H ' HD11 ' A' ' 8' ' ' LEU . 92.2 mt . . . . . 0 C--N 1.325 -0.467 0 CA-C-O 121.03 0.443 . . . . 10.0 111.006 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.443 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 26.2 ptt? . . . . . 0 N--CA 1.483 1.2 0 N-CA-C 110.246 -0.279 . . . . 10.0 110.246 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -110.72 141.9 43.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.841 0.353 . . . . 10.0 110.624 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 24.8 pt -129.51 151.98 36.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.136 -0.483 . . . . 10.0 109.938 178.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -107.49 112.31 25.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.442 -0.344 . . . . 10.0 110.727 -179.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.7 t -101.17 121.08 51.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -106.5 141.61 37.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.751 0.31 . . . . 10.0 111.289 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.1 p -111.81 167.67 10.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.666 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.451 ' CD1' ' HA ' ' D' ' 487' ' ' GLU . 46.8 mt -70.12 -14.91 62.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.094 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.67 -12.89 59.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.227 0.537 . . . . 10.0 110.564 179.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.86 5.13 58.67 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.778 -0.646 . . . . 10.0 112.32 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -88.04 139.38 30.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.81 0.338 . . . . 10.0 110.868 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.3 m -115.03 118.99 34.97 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 mp -105.7 128.84 59.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.856 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.52 109.86 21.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.18 179.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.6 mt -103.46 156.07 18.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.107 0.479 . . . . 10.0 111.598 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -109.2 109.45 20.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.389 -0.823 . . . . 10.0 109.794 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.443 ' O ' ' HG2' ' B' ' 1' ' ' MET . 16.7 m -138.97 174.08 10.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.624 -179.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.518 ' O ' HD12 ' B' ' 56' ' ' LEU . 70.3 mm-40 -124.27 158.36 61.33 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 109.674 -0.491 . . . . 10.0 109.674 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -57.75 -22.38 52.78 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.281 1.987 . . . . 10.0 112.947 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -93.73 8.41 41.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.915 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -78.61 157.5 28.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.889 0.376 . . . . 10.0 110.342 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.5 145.9 29.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.496 -179.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.6 mm -54.91 -43.51 68.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.266 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -58.12 -35.09 70.96 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 121.051 0.453 . . . . 10.0 111.073 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -72.23 -38.24 68.99 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.703 -0.48 . . . . 10.0 109.703 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.4 t -62.81 -40.14 87.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.601 178.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -59.87 -39.63 85.92 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.855 178.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.42 -37.22 82.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.62 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.98 -38.0 87.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.177 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 79.0 mt -70.18 -32.06 49.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-O 121.333 0.587 . . . . 10.0 109.734 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -62.14 -40.64 96.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.541 -0.754 . . . . 10.0 110.899 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -74.36 -19.43 60.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.126 0.489 . . . . 10.0 110.876 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -84.1 -60.62 2.04 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.709 0.633 . . . . 10.0 112.709 -178.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -96.23 -15.66 21.87 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.604 0.594 . . . . 10.0 112.604 -177.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.96 31.5 53.03 Favored Glycine 0 C--O 1.229 -0.168 0 C-N-CA 120.623 -0.799 . . . . 10.0 112.253 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.6 mt -109.48 125.88 30.4 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 110.365 -0.235 . . . . 10.0 110.365 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.457 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 50.5 Cg_exo -54.22 140.97 71.48 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.704 2.269 . . . . 10.0 112.278 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 32.3 Cg_exo -58.09 -23.27 60.15 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.847 2.365 . . . . 10.0 112.787 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -70.27 -13.82 62.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.051 0.453 . . . . 10.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -107.94 -0.98 21.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.585 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -96.48 104.61 16.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.93 -178.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.405 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 35.0 mtp180 -104.77 97.27 7.18 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.871 -0.789 . . . . 10.0 108.871 177.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 41.6 mt -81.41 121.68 26.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.408 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -119.47 125.15 74.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.266 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.53 ' O ' ' HE3' ' B' ' 48' ' ' LYS . 77.2 t80 -110.21 106.6 16.09 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.688 -0.486 . . . . 10.0 109.688 178.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.52 44.02 21.81 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.912 -0.585 . . . . 10.0 112.193 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.01 8.07 84.54 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.846 -0.693 . . . . 10.0 113.974 178.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.53 ' HE3' ' O ' ' B' ' 45' ' ' PHE . 25.1 mtmt -124.2 124.52 42.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 117.304 0.552 . . . . 10.0 110.576 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.26 139.23 46.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.943 0.401 . . . . 10.0 110.344 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.483 HD21 ' HB3' ' B' ' 45' ' ' PHE . 17.3 mt -98.39 145.32 26.84 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.631 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.471 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 27.1 mt-10 -94.34 154.24 17.59 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -64.39 -44.25 91.92 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.102 0.408 . . . . 10.0 112.102 -178.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.17 47.91 3.81 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.97 -0.633 . . . . 10.0 112.951 -179.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.471 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 28.5 mmt180 -135.61 152.69 51.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 10.0 110.458 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.574 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 0.2 OUTLIER -94.45 157.84 15.83 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 178.899 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.518 HD12 ' O ' ' B' ' 18' ' ' GLU . 79.1 mt -63.51 -32.95 74.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.336 0.589 . . . . 10.0 110.046 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.95 -13.7 61.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.655 -0.702 . . . . 10.0 111.223 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.574 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.5 m-20 -67.01 -28.03 67.91 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.946 0.403 . . . . 10.0 110.703 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.401 ' HB2' HG13 ' B' ' 61' ' ' ILE . 81.9 m-85 -111.26 12.67 21.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.994 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 62.7 t30 61.31 35.25 18.16 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.438 -0.801 . . . . 10.0 111.016 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.401 HG13 ' HB2' ' B' ' 59' ' ' TYR . 77.6 mt -78.02 104.53 6.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.006 179.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -91.02 -162.04 0.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.454 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.06 153.43 28.79 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.018 -0.364 . . . . 10.0 110.018 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 65.53 33.6 8.54 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.616 0.572 . . . . 10.0 110.891 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 71.2 m -90.17 152.14 21.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.263 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.59 124.79 51.03 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.517 -179.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -117.05 131.5 56.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.642 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.482 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 53.7 m80 -92.42 118.32 30.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.002 -0.545 . . . . 10.0 109.605 179.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 54.9 tp -98.97 104.25 16.27 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.118 0.485 . . . . 10.0 110.657 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.405 ' HB ' ' HB2' ' B' ' 42' ' ' ARG . 94.0 t -90.3 108.61 19.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.949 -0.568 . . . . 10.0 109.954 179.063 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 86.2 mt -83.93 112.0 19.76 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.465 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.321 -0.639 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.123 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.53 0.19 0 CA-C-O 120.848 0.356 . . . . 10.0 111.536 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -76.69 -37.9 55.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.86 0.362 . . . . 10.0 110.987 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.56 -45.64 92.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.187 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -61.47 -41.8 97.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 10.0 110.913 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.63 -44.14 97.04 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.913 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 62.6 mtm -69.58 -37.77 77.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.754 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.24 -41.84 96.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.704 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -64.11 -33.01 74.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.33 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -62.71 -40.06 95.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.011 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 92.7 mt -72.38 -32.82 43.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.099 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -61.16 -32.76 72.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.753 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -74.4 -17.99 60.73 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 116.244 -0.434 . . . . 10.0 111.028 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . 0.482 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 67.3 mmm -95.67 -42.06 8.58 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.986 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 468' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -132.5 97.97 17.11 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.101 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -86.35 17.69 1.71 Allowed 'Trans proline' 0 CA--C 1.532 0.393 0 C-N-CA 122.496 2.131 . . . . 10.0 112.465 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -103.11 -1.17 29.55 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.864 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 471' ' ' VAL . . . . . . . . . . . . . 7.7 p -114.33 128.23 26.03 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.328 -0.396 . . . . 10.0 110.575 -179.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 472' ' ' PRO . . . . . 0.436 ' O ' HG23 ' D' ' 476' ' ' VAL . 32.1 Cg_exo -58.43 138.56 86.49 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.824 2.35 . . . . 10.0 112.508 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -54.44 -41.33 69.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.671 -0.695 . . . . 10.0 112.482 -178.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 37.8 p-80 -66.15 -30.25 70.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.633 0.254 . . . . 10.0 111.427 -178.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 475' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' D' ' 475' ' ' LEU . 22.7 mt -76.75 -35.91 57.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.657 0.265 . . . . 10.0 110.594 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 476' ' ' VAL . . . . . 0.436 HG23 ' O ' ' D' ' 472' ' ' PRO . 40.8 t -62.56 -40.9 89.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.314 0.578 . . . . 10.0 109.551 178.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . 0.448 ' O ' ' HG3' ' D' ' 481' ' ' GLN . 51.2 mt -65.85 -30.52 71.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.379 -0.828 . . . . 10.0 110.969 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -63.38 -54.11 41.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.376 -0.375 . . . . 10.0 110.916 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 479' ' ' ASP . . . . . 0.515 ' HB3' HG23 ' D' ' 489' ' ' THR . 12.9 t70 -65.2 -34.65 78.88 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.817 0.342 . . . . 10.0 110.297 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.94 -28.34 66.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.122 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 481' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' D' ' 477' ' ' LEU . 58.3 mt-30 -82.81 -25.86 32.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.104 0.478 . . . . 10.0 110.338 179.201 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -83.58 -56.63 3.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.674 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 483' ' ' THR . . . . . 0.415 ' O ' ' HB2' ' D' ' 484' ' ' ARG . 61.9 p -87.61 -43.78 11.72 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.272 0.471 . . . . 10.0 112.272 -178.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 484' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' D' ' 483' ' ' THR . 8.9 mtm180 69.18 42.16 1.27 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.195 0.521 . . . . 10.0 110.789 -179.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 12.3 t -159.13 117.91 2.93 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.754 -0.657 . . . . 10.0 109.633 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 8.1 m -57.01 -37.59 55.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.66 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 487' ' ' GLU . . . . . 0.451 ' HA ' ' CD1' ' B' ' 8' ' ' LEU . 4.4 mp0 -61.42 -43.65 98.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.794 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 39.7 mt -74.14 -44.41 49.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.843 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 489' ' ' THR . . . . . 0.515 HG23 ' HB3' ' D' ' 479' ' ' ASP . 95.7 m -57.13 -49.91 74.45 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.361 0.504 . . . . 10.0 112.361 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 4.8 m -60.34 -43.76 96.14 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.192 -0.203 . . . . 10.0 111.42 -179.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -68.68 -37.8 79.88 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.01 0.433 . . . . 10.0 109.912 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.6 -40.72 75.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.508 -0.769 . . . . 10.0 110.151 178.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 76.9 mt -66.52 -42.28 89.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.848 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.63 -34.23 77.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.97 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -81.26 -3.82 53.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 10.0 111.401 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 79.37 29.27 50.22 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.926 -0.654 . . . . 10.0 113.787 179.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -76.31 -27.34 56.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.383 0.611 . . . . 10.0 109.548 178.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 4.5 mp -108.62 130.81 60.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.4 -0.818 . . . . 10.0 109.275 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 . . . . . 0 C--O 1.233 0.22 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.988 -179.906 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.449 ' HB2' ' HB3' ' A' ' 63' ' ' LYS . 26.9 ptt? . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 109.99 -0.374 . . . . 10.0 109.99 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -91.33 134.9 34.21 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.169 0.509 . . . . 10.0 111.124 -179.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.3 pt -124.24 164.52 22.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.735 -0.666 . . . . 10.0 109.723 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.463 ' O ' ' HA ' ' A' ' 66' ' ' THR . 70.7 m-85 -114.6 131.45 56.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.941 0.401 . . . . 10.0 110.901 -179.367 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.9 t -114.62 127.54 72.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.915 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -98.58 132.77 43.73 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.294 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.2 p -108.32 165.6 11.38 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 110.081 -0.34 . . . . 10.0 110.081 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.4 mt -69.4 -10.36 57.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.819 0.342 . . . . 10.0 111.023 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.66 -3.45 52.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.172 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.87 15.92 69.04 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.801 -0.714 . . . . 10.0 112.54 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -95.66 121.25 37.16 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.102 -0.333 . . . . 10.0 110.102 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 m -93.77 116.65 29.14 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.103 0.478 . . . . 10.0 110.33 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.9 mt -104.08 138.02 30.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.983 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.46 132.54 50.6 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.019 -0.734 . . . . 10.0 109.019 178.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.4 mt -136.76 147.67 46.81 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.378 0.51 . . . . 10.0 112.378 -178.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -93.47 115.8 28.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.391 -0.822 . . . . 10.0 109.597 179.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.402 ' O ' ' HG2' ' A' ' 1' ' ' MET . 23.3 m -135.47 172.39 15.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.135 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.435 ' O ' HD12 ' A' ' 56' ' ' LEU . 65.7 mm-40 -129.38 160.78 62.48 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 109.968 -0.382 . . . . 10.0 109.968 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -58.17 -32.03 94.75 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.432 2.088 . . . . 10.0 112.232 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.11 20.29 8.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.403 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -87.46 138.31 31.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.789 0.328 . . . . 10.0 110.274 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.42 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.1 m -86.6 142.91 27.93 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.546 -179.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.2 mm -56.19 -39.2 57.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.1 0.476 . . . . 10.0 110.44 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -62.46 -30.35 71.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.644 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -77.36 -42.07 37.91 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.616 -0.513 . . . . 10.0 109.616 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 22' ' ' THR . 40.7 t -62.32 -36.44 74.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.695 178.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -60.07 -40.17 88.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.241 -0.89 . . . . 10.0 110.266 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.99 -31.0 70.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.403 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -66.57 -38.89 88.04 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.116 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.6 mt -71.0 -36.57 64.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -63.26 -35.61 80.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.414 -0.812 . . . . 10.0 110.512 179.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -83.05 -12.24 57.34 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.979 -178.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -100.19 -43.12 6.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.825 0.345 . . . . 10.0 111.494 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -99.01 -39.84 8.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.72 -179.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.86 11.14 38.32 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.552 -0.833 . . . . 10.0 111.652 -178.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.0 mt -85.39 125.33 70.03 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 115.678 -0.261 . . . . 10.0 110.778 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 37.5 Cg_exo -56.87 143.12 92.4 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 122.78 2.32 . . . . 10.0 112.328 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 48.6 Cg_exo -55.64 -29.79 72.12 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 123.151 2.567 . . . . 10.0 113.253 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -66.53 -33.51 75.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.51 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -91.82 -0.12 57.51 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.209 -178.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -94.59 101.44 13.32 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.365 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -110.17 100.24 9.18 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.96 -0.755 . . . . 10.0 108.96 178.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.31 134.6 34.11 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.198 0.523 . . . . 10.0 111.716 -178.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -128.2 136.72 59.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.542 -0.754 . . . . 10.0 109.421 179.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.499 ' HB3' HD21 ' A' ' 50' ' ' LEU . 74.2 t80 -132.16 118.63 19.83 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.934 -0.395 . . . . 10.0 109.934 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.8 21.83 11.9 Favored 'General case' 0 N--CA 1.464 0.236 0 O-C-N 123.556 0.535 . . . . 10.0 112.001 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.42 -28.02 16.78 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.698 -0.763 . . . . 10.0 112.902 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -89.16 142.03 28.0 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.283 -0.266 . . . . 10.0 110.283 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -81.41 136.86 35.72 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.783 0.325 . . . . 10.0 110.741 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.499 HD21 ' HB3' ' A' ' 45' ' ' PHE . 51.5 mt -85.63 115.21 23.18 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.795 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.538 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 31.0 mt-10 -75.36 148.14 39.5 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -55.69 -52.13 64.93 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.548 0.573 . . . . 10.0 112.548 -178.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.6 48.21 3.93 Favored Glycine 0 CA--C 1.521 0.413 0 C-N-CA 120.847 -0.692 . . . . 10.0 114.006 -178.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.538 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 23.1 mmt180 -133.08 160.61 36.69 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.969 -0.382 . . . . 10.0 109.969 179.19 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.19 154.26 19.97 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 179.397 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.435 HD12 ' O ' ' A' ' 18' ' ' GLU . 84.8 mt -60.15 -30.28 69.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.086 0.469 . . . . 10.0 110.781 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.89 -21.5 62.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.739 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -68.62 -38.12 80.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.967 0.413 . . . . 10.0 111.332 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -94.56 7.07 46.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.266 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.2 t30 61.93 39.43 13.53 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 115.384 -0.825 . . . . 10.0 111.163 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 69.4 mt -85.47 122.88 38.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.025 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -112.48 -167.23 1.16 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.266 -179.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.449 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 55.2 pttt -73.69 154.84 39.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.279 -0.419 . . . . 10.0 109.892 179.105 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 74.56 -16.63 0.53 Allowed 'General case' 0 N--CA 1.473 0.698 0 O-C-N 123.816 0.697 . . . . 10.0 111.975 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.7 m -57.86 141.4 49.29 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.968 0.413 . . . . 10.0 111.038 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 1.7 m -103.15 119.15 38.34 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.202 -179.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.1 mp -99.94 155.23 17.8 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.639 -0.71 . . . . 10.0 109.588 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -113.53 133.11 55.43 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.778 0.323 . . . . 10.0 110.719 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.7 tp -112.88 111.38 22.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 89.0 t -101.5 132.58 47.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.968 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.7 mt . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.36 -179.956 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.406 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 24.6 ptt? . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.627 0.251 . . . . 10.0 110.601 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -104.17 141.14 36.78 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.775 0.322 . . . . 10.0 110.969 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 20.9 pt -129.01 168.45 22.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.213 -0.449 . . . . 10.0 109.873 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.47 ' O ' ' HA ' ' B' ' 66' ' ' THR . 57.2 m-85 -121.78 117.23 26.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.972 0.415 . . . . 10.0 111.178 -179.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -96.35 123.94 48.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.079 -0.509 . . . . 10.0 109.813 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -102.18 129.59 48.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.889 -179.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 34.2 p -108.54 157.44 18.46 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.835 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 47.7 mt -68.79 -14.87 63.3 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.075 0.464 . . . . 10.0 111.12 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.7 -9.94 59.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.161 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.83 28.81 20.19 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.755 -0.735 . . . . 10.0 112.239 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -116.18 130.7 56.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.572 0.225 . . . . 10.0 110.534 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.73 130.11 51.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.548 -0.297 . . . . 10.0 110.765 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 19.4 mt -115.13 132.53 64.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.673 -0.24 . . . . 10.0 110.863 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.7 m -104.14 105.6 15.82 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.161 -0.311 . . . . 10.0 110.161 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 93.6 mt -109.83 145.81 36.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.13 -179.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -91.82 122.17 34.11 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 15.0 m -138.47 173.28 12.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.391 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.517 ' O ' HD12 ' B' ' 56' ' ' LEU . 6.8 mm-40 -131.41 155.85 80.92 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 109.178 -0.675 . . . . 10.0 109.178 179.291 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.72 -27.28 60.63 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 122.449 2.099 . . . . 10.0 112.914 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.9 -2.37 58.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.704 -179.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -72.32 143.56 48.63 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.706 0.289 . . . . 10.0 110.359 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.455 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.3 OUTLIER -89.4 147.29 24.12 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.537 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.448 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 42.4 mm -57.2 -40.2 72.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.294 0.568 . . . . 10.0 109.887 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -60.54 -36.29 78.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.249 -0.887 . . . . 10.0 110.763 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -71.51 -36.65 71.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.087 0.47 . . . . 10.0 109.767 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.455 HG23 ' O ' ' B' ' 22' ' ' THR . 47.5 t -62.26 -38.51 81.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.896 -0.593 . . . . 10.0 109.525 178.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' B' ' 23' ' ' ILE . 4.7 mmmm -59.9 -35.89 75.83 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.055 179.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.09 -36.19 81.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.295 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -68.2 -35.99 78.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.268 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.54 HG21 HD11 ' B' ' 69' ' ' LEU . 69.7 mt -69.67 -37.98 75.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 178.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.415 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 58.7 tt0 -69.2 -22.88 63.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.806 178.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -74.36 -28.53 61.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.067 178.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -93.07 -63.65 1.19 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.624 -0.716 . . . . 10.0 111.403 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -77.09 -47.47 20.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.266 -0.424 . . . . 10.0 111.341 -178.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 106.89 -12.56 41.55 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.731 -0.747 . . . . 10.0 112.278 -179.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 31.9 mt -62.55 129.6 92.82 Favored Pre-proline 0 C--N 1.327 -0.378 0 C-N-CA 122.307 0.243 . . . . 10.0 111.108 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.457 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 33.0 Cg_exo -57.09 138.7 87.44 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 122.399 2.066 . . . . 10.0 111.792 179.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 32.0 Cg_exo -58.73 -25.73 77.0 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.013 2.475 . . . . 10.0 112.638 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.32 -41.9 80.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.811 -0.632 . . . . 10.0 111.379 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -94.65 15.51 17.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.615 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -104.26 100.59 10.32 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.669 0.271 . . . . 10.0 111.264 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.463 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 47.4 mtp180 -97.41 112.42 24.26 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.521 -0.918 . . . . 10.0 108.521 178.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 46.3 mt -96.9 131.17 43.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.969 0.414 . . . . 10.0 111.903 -178.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mp -123.98 136.82 59.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.02 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.567 ' HB3' HD21 ' B' ' 50' ' ' LEU . 67.1 t80 -131.79 115.19 15.64 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 179.029 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.96 23.83 12.94 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.378 0.423 . . . . 10.0 111.494 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.18 -13.55 63.15 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.792 -0.718 . . . . 10.0 112.559 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -100.37 129.35 46.33 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.556 0.217 . . . . 10.0 110.452 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.19 139.09 46.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.174 0.512 . . . . 10.0 111.235 -179.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.567 HD21 ' HB3' ' B' ' 45' ' ' PHE . 24.9 mt -94.73 134.72 37.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.891 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -96.2 148.35 22.81 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.769 -0.456 . . . . 10.0 109.769 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -59.91 -44.38 94.32 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.243 0.46 . . . . 10.0 112.243 -178.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.01 48.89 3.63 Favored Glycine 0 CA--C 1.517 0.181 0 C-N-CA 121.212 -0.518 . . . . 10.0 113.5 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.472 ' HG3' ' OH ' ' B' ' 59' ' ' TYR . 16.2 mmt180 -143.66 162.74 35.16 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 179.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.464 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 46.9 p -106.65 163.73 12.66 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.244 -0.65 . . . . 10.0 109.244 178.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.517 HD12 ' O ' ' B' ' 18' ' ' GLU . 83.5 mt -61.63 -33.41 73.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.815 0.34 . . . . 10.0 110.799 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.5 m -69.57 -20.8 63.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 10.0 111.52 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' B' ' 55' ' ' THR . 3.9 m-20 -63.57 -37.76 88.53 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.98 0.419 . . . . 10.0 111.028 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.472 ' OH ' ' HG3' ' B' ' 54' ' ' ARG . 87.2 m-85 -101.87 14.36 32.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.202 -179.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 63.23 23.78 14.01 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.037 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.6 mt -71.11 129.9 34.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.63 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -129.11 -159.2 0.94 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.311 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.406 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 5.0 pttt -70.76 153.55 42.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.573 -0.285 . . . . 10.0 110.958 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 64.35 14.9 9.11 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.622 -0.717 . . . . 10.0 112.401 178.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.6 m -76.53 140.83 41.3 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.975 -0.38 . . . . 10.0 109.975 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.47 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 32.1 m -98.52 118.95 36.37 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.095 0.474 . . . . 10.0 111.215 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 mp -101.07 120.44 40.21 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.576 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.545 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 43.4 m80 -86.45 119.54 26.82 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.462 -0.335 . . . . 10.0 110.387 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.54 HD11 HG21 ' B' ' 30' ' ' ILE . 0.5 OUTLIER -95.99 114.13 25.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.87 -179.72 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.463 ' HB ' ' HB2' ' B' ' 42' ' ' ARG . 86.5 t -108.7 131.04 60.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.033 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 96.1 mt -103.73 150.93 23.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.497 -0.32 . . . . 10.0 110.138 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.719 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.455 -0.182 0 CA-C-O 120.964 0.411 . . . . 10.0 110.849 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 -67.93 -34.86 77.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.471 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 74.4 mt -66.56 -45.09 80.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.263 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -64.37 -40.16 95.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.977 0.418 . . . . 10.0 110.476 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.39 -44.1 95.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.063 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 47.8 mtm -69.98 -41.12 74.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.14 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.16 -34.82 78.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.75 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.58 -34.46 72.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.913 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 463' ' ' GLN . . . . . 0.475 ' O ' ' HG2' ' D' ' 467' ' ' MET . 23.5 tp60 -70.3 -39.19 75.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.996 0.427 . . . . 10.0 109.901 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 51.4 mt -66.1 -31.19 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.428 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -64.99 -23.19 67.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.349 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -87.38 -14.29 41.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.285 179.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . 0.545 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 49.1 mmm -91.85 -37.89 12.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.38 0.61 . . . . 10.0 109.676 179.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 468' ' ' PHE . . . . . 0.491 ' O ' HG12 ' D' ' 471' ' ' VAL . 5.7 m-85 -130.06 95.92 26.94 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.601 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -80.2 26.16 0.58 Allowed 'Trans proline' 0 CA--C 1.53 0.294 0 C-N-CA 122.516 2.144 . . . . 10.0 112.614 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -137.4 21.04 2.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.717 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 471' ' ' VAL . . . . . 0.491 HG12 ' O ' ' D' ' 468' ' ' PHE . 14.1 p -120.03 131.27 24.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.05 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 472' ' ' PRO . . . . . 0.439 ' HG2' HD12 ' D' ' 475' ' ' LEU . 32.4 Cg_exo -59.98 121.78 10.36 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.572 2.182 . . . . 10.0 112.405 179.165 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -53.05 -40.13 63.73 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.809 -0.632 . . . . 10.0 112.167 -179.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -68.22 -23.34 64.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.604 0.24 . . . . 10.0 111.638 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 475' ' ' LEU . . . . . 0.51 ' O ' ' HB3' ' D' ' 478' ' ' GLN . 22.6 mt -84.94 -26.77 26.99 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.634 -0.506 . . . . 10.0 109.634 179.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 476' ' ' VAL . . . . . 0.411 HG23 ' O ' ' D' ' 472' ' ' PRO . 53.5 t -68.86 -42.62 82.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 108.912 -0.773 . . . . 10.0 108.912 178.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . 0.457 ' O ' ' HG3' ' D' ' 481' ' ' GLN . 63.1 mt -62.12 -27.9 69.25 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.451 -0.795 . . . . 10.0 110.346 178.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 478' ' ' GLN . . . . . 0.51 ' HB3' ' O ' ' D' ' 475' ' ' LEU . 0.0 OUTLIER -62.37 -52.84 61.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.702 -0.681 . . . . 10.0 111.039 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 479' ' ' ASP . . . . . 0.509 ' HB3' HG23 ' D' ' 489' ' ' THR . 12.6 t70 -65.83 -33.99 77.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.61 -179.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.33 -27.69 67.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.66 179.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 481' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' D' ' 477' ' ' LEU . 58.3 mt-30 -89.79 -3.23 58.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.46 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -107.49 -58.4 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.431 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 82.6 p -87.19 -35.37 18.61 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.488 -0.324 . . . . 10.0 111.443 -179.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? 65.71 21.19 11.59 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.68 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.44 112.77 7.16 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.827 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 16.7 m -52.75 -31.0 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 115.941 -0.572 . . . . 10.0 112.237 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -60.98 -54.26 47.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.037 0.446 . . . . 10.0 110.217 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 22.5 mt -67.55 -34.08 66.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.292 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 489' ' ' THR . . . . . 0.509 HG23 ' HB3' ' D' ' 479' ' ' ASP . 87.2 m -60.16 -49.84 76.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.745 -0.661 . . . . 10.0 111.197 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 490' ' ' THR . . . . . 0.44 ' HB ' HG13 ' B' ' 70' ' ' VAL . 1.9 m -68.42 -34.73 76.53 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.764 -179.246 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 491' ' ' ASP . . . . . 0.467 ' O ' ' HG2' ' D' ' 495' ' ' GLU . 18.1 t70 -65.76 -44.16 86.69 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.933 -0.766 . . . . 10.0 108.933 178.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -56.23 -36.46 68.5 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.215 -0.902 . . . . 10.0 110.47 178.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 493' ' ' ILE . . . . . 0.465 HG13 ' O ' ' D' ' 489' ' ' THR . 89.9 mt -64.02 -44.45 97.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.036 179.215 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.82 -28.81 67.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.001 0.429 . . . . 10.0 110.566 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 495' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' D' ' 491' ' ' ASP . 33.4 mm-40 -76.68 -20.98 56.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.776 -0.647 . . . . 10.0 111.329 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 95.19 24.56 16.39 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.453 -0.88 . . . . 10.0 112.298 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -71.62 -37.36 70.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.559 0.695 . . . . 10.0 109.32 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 4.1 mp -100.68 122.8 53.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.079 -0.964 . . . . 10.0 109.265 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 . . . . . 0 C--N 1.326 -0.448 0 CA-C-O 120.965 0.412 . . . . 10.0 111.01 -179.76 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.483 1.194 0 N-CA-C 110.334 -0.247 . . . . 10.0 110.334 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -111.7 143.43 42.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.363 -0.38 . . . . 10.0 111.317 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.2 pt -129.96 162.59 37.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 178.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -122.64 116.25 23.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.928 0.394 . . . . 10.0 111.393 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 63.0 t -100.89 121.05 51.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.8 -0.636 . . . . 10.0 110.036 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.7 mttp -98.99 131.96 44.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.868 0.366 . . . . 10.0 110.909 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.8 p -94.78 171.69 8.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.189 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.429 HD11 ' H ' ' A' ' 71' ' ' LEU . 52.6 mt -65.82 -28.1 68.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.89 0.376 . . . . 10.0 110.811 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.553 HG23 HE21 ' D' ' 465' ' ' GLN . 1.9 m -74.94 -27.88 60.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.94 -0.573 . . . . 10.0 111.131 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.71 -16.27 10.38 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.805 -0.712 . . . . 10.0 111.731 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -61.49 127.76 33.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.669 -0.265 . . . . 10.0 110.784 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -106.35 121.73 44.82 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.367 -0.379 . . . . 10.0 110.178 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mt -100.65 133.06 45.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.551 -178.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.22 129.39 38.18 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.894 -0.594 . . . . 10.0 109.569 178.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.3 mt -131.46 133.42 45.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.862 0.363 . . . . 10.0 111.533 -179.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -94.36 108.79 20.68 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.196 -0.668 . . . . 10.0 109.196 178.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.5 m -138.09 172.65 13.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.266 -0.424 . . . . 10.0 110.895 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -124.22 155.57 67.89 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.427 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 55.7 Cg_exo -53.49 -24.83 29.89 Favored 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 122.97 2.447 . . . . 10.0 113.889 -179.119 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.52 0.08 57.47 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.472 0.545 . . . . 10.0 112.472 -178.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -74.0 143.74 45.44 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.681 -0.408 . . . . 10.0 110.162 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.6 m -84.02 141.01 31.49 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.777 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.4 mm -54.43 -40.83 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.28 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -61.89 -30.08 70.64 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.914 0.388 . . . . 10.0 110.723 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -75.52 -29.51 59.5 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.429 -0.582 . . . . 10.0 109.429 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.0 t -67.7 -39.22 81.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.135 -0.691 . . . . 10.0 109.135 178.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -61.94 -36.24 80.81 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.561 -0.745 . . . . 10.0 109.769 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.22 -37.9 89.05 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.591 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.2 mtmm -66.34 -42.61 87.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.174 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 60.0 mt -66.4 -36.16 76.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.508 0.67 . . . . 10.0 109.63 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -67.81 -29.54 68.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.553 -0.749 . . . . 10.0 110.419 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -81.17 -33.51 33.0 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.494 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -87.61 -47.0 9.04 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.218 0.451 . . . . 10.0 112.218 -179.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -92.45 -32.95 14.71 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.025 0.38 . . . . 10.0 112.025 -178.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.42 10.66 61.82 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.497 -0.859 . . . . 10.0 112.466 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.4 mt -83.8 126.13 71.47 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 110.471 -0.196 . . . . 10.0 110.471 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 45.7 Cg_exo -55.95 138.63 82.81 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.856 2.371 . . . . 10.0 112.15 179.518 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.2 Cg_exo -54.8 -32.38 76.55 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.997 2.465 . . . . 10.0 112.969 -179.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.57 -21.63 66.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.951 -179.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -102.35 0.9 34.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.673 0.273 . . . . 10.0 111.18 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -93.73 131.72 38.8 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.067 -179.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 65.4 mtt180 -135.61 102.86 5.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.226 178.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.8 mt -93.57 123.37 36.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.675 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mp -123.17 137.4 56.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.064 -0.517 . . . . 10.0 110.064 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.47 ' HB3' HD21 ' A' ' 50' ' ' LEU . 71.2 t80 -135.02 114.82 12.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.348 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.97 33.02 10.11 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.782 -0.644 . . . . 10.0 111.368 179.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.33 -7.94 73.53 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.981 -0.628 . . . . 10.0 112.896 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -99.73 128.31 45.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.887 0.375 . . . . 10.0 111.01 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.38 116.75 19.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.872 -0.604 . . . . 10.0 109.376 179.326 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.47 HD21 ' HB3' ' A' ' 45' ' ' PHE . 37.3 mt -64.23 127.9 33.45 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.008 -178.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.478 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 12.9 mt-10 -83.6 138.51 33.33 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.271 -0.64 . . . . 10.0 109.271 178.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -60.71 -21.0 62.44 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.275 0.472 . . . . 10.0 112.275 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.03 34.94 5.0 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.682 -0.771 . . . . 10.0 113.479 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.478 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 17.4 mmt180 -132.59 174.33 10.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.914 0.357 . . . . 10.0 110.436 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.0 p -112.98 -179.3 3.61 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.079 -0.711 . . . . 10.0 109.079 178.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.427 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 87.8 mt -73.5 -33.24 64.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.982 0.42 . . . . 10.0 110.808 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.4 m -75.07 -10.27 59.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.289 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.18 -31.72 70.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.051 0.453 . . . . 10.0 110.477 179.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -111.88 9.95 20.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.501 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 61.32 50.87 4.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.38 -0.827 . . . . 10.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 73.1 mt -89.95 112.16 24.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.22 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -88.4 -173.47 4.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.706 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 57.3 pttt -76.1 150.99 37.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.478 -0.328 . . . . 10.0 110.936 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 63.52 24.29 13.99 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.617 -0.719 . . . . 10.0 111.94 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.8 m -79.92 153.21 29.13 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.304 -0.258 . . . . 10.0 110.304 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.7 m -97.22 118.0 32.68 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.626 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -106.72 130.49 54.43 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.271 -0.64 . . . . 10.0 109.271 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.5 123.52 36.86 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.551 0.215 . . . . 10.0 110.544 -179.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.3 tp -106.83 109.11 20.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.694 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.426 ' HA ' HD21 ' A' ' 8' ' ' LEU . 63.7 t -98.18 132.05 43.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.171 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.429 ' H ' HD11 ' A' ' 8' ' ' LEU . 94.9 mt . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.441 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 26.4 ptt? . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 120.859 0.362 . . . . 10.0 110.071 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -100.42 133.92 44.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.934 0.397 . . . . 10.0 110.97 -179.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 19.2 pt -119.74 160.44 19.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.092 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -109.27 114.5 28.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.883 0.373 . . . . 10.0 111.057 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 44.0 t -100.06 119.57 48.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.75 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 6.8 mttp -97.53 128.21 44.09 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.952 -179.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 19.1 p -102.8 160.24 14.77 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.065 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 56.1 mt -64.94 -14.66 60.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.0 0.428 . . . . 10.0 111.41 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.25 -16.37 40.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.783 179.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.88 11.23 47.23 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.987 -0.625 . . . . 10.0 112.855 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -93.0 133.34 36.23 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 122.708 -0.29 . . . . 10.0 110.443 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -100.99 115.15 29.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.404 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 7.4 mt -96.29 132.38 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.501 -0.318 . . . . 10.0 110.613 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.77 124.82 46.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.073 179.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 67.5 mt -126.94 140.2 52.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.265 -179.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -93.64 103.99 16.12 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.744 -0.836 . . . . 10.0 108.744 178.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.404 ' O ' ' HG2' ' B' ' 1' ' ' MET . 16.9 m -129.39 164.55 31.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.092 -178.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.503 ' O ' HD12 ' B' ' 56' ' ' LEU . 10.9 mm-40 -124.03 157.46 63.64 Favored Pre-proline 0 C--N 1.32 -0.68 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 179.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -55.96 -23.17 41.83 Favored 'Trans proline' 0 CA--C 1.531 0.368 0 C-N-CA 122.408 2.072 . . . . 10.0 112.691 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.95 4.93 46.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.307 -0.406 . . . . 10.0 112.059 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -81.42 153.09 27.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.886 0.374 . . . . 10.0 110.795 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m -99.53 146.96 25.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.737 -178.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.47 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 40.0 mm -56.58 -42.04 75.01 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.118 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -59.62 -35.52 74.52 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.865 0.364 . . . . 10.0 111.133 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -68.88 -35.36 76.79 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.682 -0.488 . . . . 10.0 109.682 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 44.2 t -64.15 -40.62 89.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.504 ' HE3' ' O ' ' B' ' 41' ' ' GLN . 5.5 mmmm -59.43 -44.56 92.88 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.567 -0.742 . . . . 10.0 109.462 178.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.82 -36.2 82.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.287 -0.87 . . . . 10.0 110.932 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -68.03 -42.27 80.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.384 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 73.0 mt -67.21 -34.21 67.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.595 0.712 . . . . 10.0 109.385 178.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -67.08 -34.52 77.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.159 -0.928 . . . . 10.0 110.494 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -79.5 -30.29 41.9 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.918 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 43.3 mttt -82.22 -52.76 6.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.522 -0.308 . . . . 10.0 111.608 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -88.83 -53.69 4.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.856 0.36 . . . . 10.0 111.115 -178.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.23 7.06 10.37 Favored Glycine 0 CA--C 1.517 0.167 0 C-N-CA 120.781 -0.723 . . . . 10.0 112.472 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 21.1 mt -86.81 126.31 63.94 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 122.827 -0.219 . . . . 10.0 110.72 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.447 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 34.3 Cg_exo -57.96 143.7 95.65 Favored 'Trans proline' 0 CA--C 1.532 0.416 0 C-N-CA 122.662 2.241 . . . . 10.0 112.181 179.152 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 31.2 Cg_exo -58.89 -24.63 73.44 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.894 2.396 . . . . 10.0 113.396 -179.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.57 -22.84 63.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 10.0 111.362 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -103.21 0.62 31.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.07 0.462 . . . . 10.0 110.404 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.504 ' O ' ' HE3' ' B' ' 27' ' ' LYS . 67.0 mt-30 -94.28 113.9 25.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.747 -0.661 . . . . 10.0 111.172 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.468 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 2.7 ttt180 -113.12 108.47 17.35 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.739 -0.837 . . . . 10.0 108.739 178.057 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 25.0 mt -94.39 126.58 39.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.006 0.432 . . . . 10.0 111.757 -177.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.553 HG21 ' CZ ' ' D' ' 468' ' ' PHE . 1.6 mp -120.87 133.2 68.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.615 -0.72 . . . . 10.0 110.447 179.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.778 ' HB3' HD21 ' B' ' 50' ' ' LEU . 59.0 t80 -133.05 126.05 30.98 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.055 -0.72 . . . . 10.0 109.055 178.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.96 34.17 16.93 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.288 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.2 24.88 70.05 Favored Glycine 0 CA--C 1.52 0.395 0 CA-C-N 116.061 -0.518 . . . . 10.0 113.779 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 31.6 mtmm -141.45 152.25 44.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.82 0.31 . . . . 10.0 110.399 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.09 135.51 33.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.018 0.437 . . . . 10.0 110.98 -179.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.778 HD21 ' HB3' ' B' ' 45' ' ' PHE . 31.3 mt -91.89 147.69 22.78 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.17 179.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -99.54 142.55 30.87 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.505 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.2 -21.99 65.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.858 -0.61 . . . . 10.0 112.094 -179.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.03 30.19 7.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 10.0 113.328 -179.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' B' ' 54' ' ' ARG . 33.0 mmt-85 -129.62 161.38 30.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 117.004 0.402 . . . . 10.0 110.178 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.06 162.35 13.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.317 179.421 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.503 HD12 ' O ' ' B' ' 18' ' ' GLU . 86.8 mt -63.67 -24.23 67.7 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.808 0.337 . . . . 10.0 111.277 -179.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.89 -33.34 59.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.827 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -60.06 -45.88 91.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.81 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.401 ' OH ' ' HG3' ' B' ' 54' ' ' ARG . 62.0 m-85 -83.75 -1.29 53.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.065 179.594 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 59.39 39.43 22.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.7 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 56.2 mt -72.63 108.63 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.196 -0.456 . . . . 10.0 109.934 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -91.22 -174.61 4.01 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.383 -179.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.99 156.51 36.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.355 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 64.81 12.67 7.9 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 122.921 0.488 . . . . 10.0 111.985 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 18.9 m -81.76 160.57 23.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.799 0.333 . . . . 10.0 110.113 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 2.7 m -117.89 131.41 56.53 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.014 0.435 . . . . 10.0 111.637 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -112.93 131.97 55.52 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.873 -0.788 . . . . 10.0 108.873 178.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -92.84 124.16 36.63 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.723 0.296 . . . . 10.0 110.374 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.4 tp -102.78 107.52 18.41 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.106 0.479 . . . . 10.0 110.159 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.468 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 51.1 t -102.49 140.05 21.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.644 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 79.2 mt -109.52 155.62 21.14 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 179.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.652 0 CA-C-O 120.872 0.368 . . . . 10.0 111.291 -179.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 120.651 0.262 . . . . 10.0 111.695 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -69.51 -36.62 76.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.096 0.474 . . . . 10.0 110.403 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 79.7 mt -65.57 -37.79 87.67 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.996 -0.547 . . . . 10.0 109.96 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -63.4 -41.97 98.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.056 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -66.99 -41.46 86.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.776 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 3.2 mtm -65.51 -41.35 93.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.745 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.38 -42.99 95.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.625 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -61.94 -34.95 77.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.925 -0.579 . . . . 10.0 110.631 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -61.42 -37.16 82.49 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.135 0.493 . . . . 10.0 110.077 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 72.2 mt -75.83 -40.9 39.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.987 -0.551 . . . . 10.0 109.635 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 465' ' ' GLN . . . . . 0.553 HE21 HG23 ' A' ' 9' ' ' THR . 33.5 tp60 -59.16 -35.41 73.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.89 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -64.14 -18.09 64.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.494 -0.776 . . . . 10.0 111.568 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 47.5 mtm -107.75 -39.86 5.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.688 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 468' ' ' PHE . . . . . 0.553 ' CZ ' HG21 ' B' ' 44' ' ' ILE . 96.4 m-85 -119.17 85.75 30.83 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.716 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -84.27 12.82 2.91 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.895 2.397 . . . . 10.0 111.942 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -103.79 10.29 36.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.923 -0.58 . . . . 10.0 111.165 -179.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 471' ' ' VAL . . . . . 0.421 HG12 ' O ' ' D' ' 468' ' ' PHE . 7.2 p -123.39 134.21 25.06 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.088 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 472' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.42 122.18 11.26 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.617 2.211 . . . . 10.0 112.504 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -51.03 -42.93 60.79 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.679 -0.692 . . . . 10.0 112.705 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 27.2 p-80 -64.71 -26.03 68.2 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.833 0.309 . . . . 10.0 111.833 -179.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 475' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' D' ' 475' ' ' LEU . 31.3 mt -79.04 -31.98 44.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.818 0.342 . . . . 10.0 110.427 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 40.6 t -65.72 -41.76 91.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 178.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 16.0 mt -66.46 -19.44 65.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.352 -0.84 . . . . 10.0 110.806 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -73.38 -50.93 19.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.43 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -68.02 -33.73 75.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.851 0.358 . . . . 10.0 110.16 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.55 -25.73 66.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.056 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -91.66 -5.74 53.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 10.0 110.942 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -103.91 -56.5 2.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.901 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 65.9 p -86.17 -39.64 16.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.079 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 61.33 34.6 18.4 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.754 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -152.33 112.95 4.13 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 5.6 m -52.53 -34.18 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 O-C-N 123.411 0.445 . . . . 10.0 111.99 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -59.59 -47.84 83.98 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.001 0.429 . . . . 10.0 110.709 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 488' ' ' ILE . . . . . 0.428 ' O ' ' HB2' ' D' ' 492' ' ' ASN . 15.4 mt -74.77 -42.95 47.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.981 -179.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 78.5 m -54.46 -52.62 61.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.795 -0.639 . . . . 10.0 112.664 -178.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 2.4 m -60.61 -44.65 96.05 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.131 0.419 . . . . 10.0 112.131 -178.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -68.43 -36.8 79.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.067 0.461 . . . . 10.0 109.944 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 492' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' D' ' 488' ' ' ILE . 1.0 OUTLIER -57.43 -45.69 84.38 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.538 -0.756 . . . . 10.0 110.169 179.062 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 73.3 mt -66.34 -44.42 90.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.532 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.02 -31.27 72.43 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.311 -179.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -75.24 -28.59 59.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.332 . . . . 10.0 111.388 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 110.73 21.67 6.68 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.741 -0.742 . . . . 10.0 112.964 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 497' ' ' ARG . . . . . 0.438 ' HB3' HD12 ' D' ' 498' ' ' ILE . 9.9 tpp180 -72.74 -34.54 67.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.265 0.555 . . . . 10.0 109.589 179.276 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 498' ' ' ILE . . . . . 0.438 HD12 ' HB3' ' D' ' 497' ' ' ARG . 3.2 mp -99.95 137.87 26.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.293 -0.867 . . . . 10.0 109.03 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 . . . . . 0 C--N 1.327 -0.394 0 CA-C-O 121.071 0.462 . . . . 10.0 111.993 -179.165 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.4 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 25.6 ptt? . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 110.345 -0.242 . . . . 10.0 110.345 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -110.19 139.58 45.21 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.556 -0.293 . . . . 10.0 110.606 -179.697 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.0 pt -125.06 160.53 30.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.968 -0.382 . . . . 10.0 109.968 178.747 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.415 ' O ' ' HA ' ' A' ' 66' ' ' THR . 71.8 m-85 -115.13 114.02 24.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.91 0.386 . . . . 10.0 110.851 -179.224 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 59.1 t -106.2 116.46 50.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.108 -0.496 . . . . 10.0 109.72 179.328 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.8 tttp -102.44 133.6 47.12 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.969 0.414 . . . . 10.0 110.45 -179.529 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.4 p -95.8 170.55 9.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.345 179.639 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.69 -4.78 21.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 10.0 111.497 -179.757 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 39.9 p -97.31 -1.61 44.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.218 0.532 . . . . 10.0 110.691 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.96 -19.25 53.18 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.771 -0.65 . . . . 10.0 112.019 -179.809 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp -64.94 119.56 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.036 0.446 . . . . 10.0 110.648 -179.72 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.6 m -102.08 126.05 48.92 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.128 -179.867 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.7 mt -112.02 138.34 41.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.017 -178.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 m -102.38 131.17 49.18 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.754 -0.832 . . . . 10.0 108.754 178.316 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.7 mt -123.88 145.39 49.15 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.101 0.408 . . . . 10.0 112.101 -178.439 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -92.33 108.3 19.85 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.413 -0.958 . . . . 10.0 108.413 178.221 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.4 ' O ' ' HG2' ' A' ' 1' ' ' MET . 30.0 m -135.07 168.85 22.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.188 0.518 . . . . 10.0 111.547 -178.602 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.561 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 76.7 mm-40 -129.7 159.46 69.56 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 108.869 -0.789 . . . . 10.0 108.869 178.87 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -56.05 -28.29 68.8 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 122.279 1.986 . . . . 10.0 112.337 179.539 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.53 9.39 13.67 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.89 -0.596 . . . . 10.0 111.529 -179.809 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.561 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 1.8 m-20 -88.61 139.17 30.74 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.927 0.394 . . . . 10.0 110.108 179.671 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -94.7 155.42 16.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.421 179.78 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.431 HD12 HD13 ' A' ' 50' ' ' LEU . 19.3 mm -57.31 -38.8 64.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.829 -0.434 . . . . 10.0 109.829 179.718 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -59.24 -44.82 92.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.509 -0.769 . . . . 10.0 110.226 178.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.451 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 9.7 t-20 -66.73 -38.63 87.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.505 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.1 t -64.14 -40.42 89.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.389 179.514 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -63.37 -34.5 77.87 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.091 179.195 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.29 -31.73 72.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.516 179.157 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 61.2 mttt -68.67 -37.71 79.83 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.629 -0.508 . . . . 10.0 109.629 178.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 63.8 mt -72.06 -33.75 48.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-O 121.26 0.552 . . . . 10.0 109.847 178.795 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -64.76 -37.37 87.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.492 -0.776 . . . . 10.0 110.885 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -81.31 -26.83 35.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.074 0.464 . . . . 10.0 110.99 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -78.7 -56.17 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.454 -179.457 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -94.85 -51.5 4.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.876 0.369 . . . . 10.0 111.442 -178.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.19 2.36 10.06 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.023 -0.608 . . . . 10.0 112.263 -179.304 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.9 mt -75.46 124.93 89.22 Favored Pre-proline 0 C--N 1.327 -0.392 0 O-C-N 122.905 -0.173 . . . . 10.0 110.878 -179.77 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 27.0 Cg_exo -62.33 137.5 65.85 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.692 2.261 . . . . 10.0 112.003 179.565 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 37.5 Cg_exo -57.95 -21.6 50.42 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.008 2.472 . . . . 10.0 112.805 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -68.98 -25.62 64.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.363 0.601 . . . . 10.0 110.277 179.279 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -107.23 9.34 30.16 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.696 -179.447 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -99.56 115.99 30.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.246 -179.624 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -118.1 100.63 7.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.809 0.338 . . . . 10.0 110.114 178.644 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 36.0 mt -88.7 132.27 34.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.048 -179.554 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -125.21 132.77 70.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.585 179.528 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.507 ' HB3' HD21 ' A' ' 50' ' ' LEU . 89.0 t80 -132.67 126.4 32.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.076 179.674 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.84 28.39 15.94 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.083 0.468 . . . . 10.0 111.641 179.433 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.26 -4.03 86.38 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.967 -0.635 . . . . 10.0 113.157 179.568 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -106.25 132.09 52.71 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.055 0.455 . . . . 10.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -75.77 129.36 36.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.769 -0.65 . . . . 10.0 109.454 179.397 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.507 HD21 ' HB3' ' A' ' 45' ' ' PHE . 21.8 mt -80.02 147.29 31.58 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.343 -0.389 . . . . 10.0 110.461 -179.629 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -89.58 -144.47 0.16 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.015 -0.538 . . . . 10.0 109.748 179.395 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.5 -59.83 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.656 -0.418 . . . . 10.0 111.8 -179.188 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.32 44.9 3.26 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.99 -0.624 . . . . 10.0 113.153 -178.672 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -125.3 151.96 45.31 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.642 -0.503 . . . . 10.0 109.642 179.862 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.2 p -93.97 165.15 12.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.665 0.269 . . . . 10.0 110.397 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.404 ' HB3' ' HB ' ' A' ' 61' ' ' ILE . 85.9 mt -64.74 -33.48 76.08 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.003 0.43 . . . . 10.0 110.563 179.739 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.81 -23.4 66.04 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.056 179.35 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -66.83 -25.29 66.36 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.0 0.429 . . . . 10.0 110.909 179.866 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -110.75 7.69 22.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.83 -179.873 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.8 t30 64.97 31.71 11.09 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.397 -0.82 . . . . 10.0 111.287 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.404 ' HB ' ' HB3' ' A' ' 56' ' ' LEU . 93.1 mt -79.02 119.57 28.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 109.2 -0.667 . . . . 10.0 109.2 179.129 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -113.7 -164.57 0.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.228 0.537 . . . . 10.0 111.427 -178.46 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.1 pttt -68.41 140.06 55.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.675 -0.693 . . . . 10.0 111.691 -179.449 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 57.46 44.54 21.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.26 -0.882 . . . . 10.0 112.282 179.28 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.5 m -98.61 143.83 28.57 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 178.368 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 22.6 m -95.05 121.63 36.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.228 0.537 . . . . 10.0 111.691 -179.413 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -113.11 147.37 37.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.514 -0.766 . . . . 10.0 109.105 179.092 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -108.86 134.63 51.28 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.848 0.356 . . . . 10.0 110.736 179.702 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.8 tp -111.75 110.43 20.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.989 -0.551 . . . . 10.0 111.008 -179.789 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.6 t -94.58 133.7 34.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.02 179.674 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.0 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.874 -179.631 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.479 1.012 0 N-CA-C 110.117 -0.327 . . . . 10.0 110.117 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -110.01 139.51 45.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.739 -179.621 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.6 pt -127.18 158.4 38.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.738 178.79 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -115.64 115.08 25.77 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.648 -0.251 . . . . 10.0 110.641 -179.585 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -98.99 121.13 49.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 110.19 -0.3 . . . . 10.0 110.19 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 39.2 tttp -97.88 139.23 34.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.639 -0.255 . . . . 10.0 110.483 -179.288 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 41.6 p -117.16 172.9 6.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.228 -179.643 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 40.4 mt -82.29 -4.08 56.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.123 179.731 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.13 7.07 46.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.142 0.496 . . . . 10.0 110.573 179.786 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.27 37.61 71.29 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.813 -0.631 . . . . 10.0 112.265 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -128.62 110.67 12.45 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.796 0.331 . . . . 10.0 110.869 -179.496 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 20.3 m -87.11 123.67 32.42 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.411 -0.588 . . . . 10.0 109.411 178.694 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 37.1 mt -103.69 136.69 35.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.404 -179.017 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.37 134.0 36.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.011 -0.541 . . . . 10.0 109.659 178.318 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 18.0 mt -134.61 131.41 37.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.848 0.356 . . . . 10.0 111.569 -179.788 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -88.5 105.83 17.88 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.06 178.306 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 29.6 m -136.45 169.9 19.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.378 -179.684 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.417 ' O ' HD12 ' B' ' 56' ' ' LEU . 5.7 mm-40 -126.18 157.83 68.55 Favored Pre-proline 0 C--N 1.317 -0.809 0 N-CA-C 108.496 -0.927 . . . . 10.0 108.496 178.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -56.57 -23.86 50.66 Favored 'Trans proline' 0 CA--C 1.529 0.266 0 C-N-CA 122.14 1.893 . . . . 10.0 111.946 179.677 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.63 -3.63 53.97 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.568 -0.742 . . . . 10.0 112.185 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -78.54 147.96 33.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.919 0.39 . . . . 10.0 110.186 -179.795 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.1 m -93.66 145.23 24.71 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.772 -179.394 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.8 mm -52.66 -39.95 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-O 120.969 0.414 . . . . 10.0 110.963 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -58.11 -39.07 77.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.635 -0.711 . . . . 10.0 111.236 179.565 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -76.03 -33.73 59.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.82 0.343 . . . . 10.0 110.787 -179.808 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.13 -52.05 65.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.728 179.751 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.424 ' H ' ' HG2' ' B' ' 27' ' ' LYS . 13.6 ptmt -68.42 -26.61 65.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.387 179.823 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.91 -30.21 69.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.174 0.511 . . . . 10.0 109.873 178.736 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -71.87 -36.1 69.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.705 -0.68 . . . . 10.0 109.549 178.787 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 66.3 mt -69.48 -31.07 47.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 N-CA-C 108.781 -0.822 . . . . 10.0 108.781 178.176 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.5 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 8.0 tt0 -67.41 -23.87 65.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.979 -1.009 . . . . 10.0 109.861 178.662 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -87.55 -38.14 16.26 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.554 179.631 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -75.0 -57.57 3.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.386 -179.674 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -88.55 -47.44 8.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.854 0.359 . . . . 10.0 110.994 -179.022 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.5 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 114.17 -4.17 23.77 Favored Glycine 0 N--CA 1.454 -0.122 0 C-N-CA 120.456 -0.878 . . . . 10.0 112.485 -179.775 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 35.0 mt -65.07 125.81 89.98 Favored Pre-proline 0 C--N 1.324 -0.51 0 C-N-CA 122.287 0.235 . . . . 10.0 111.167 -179.461 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.46 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 31.8 Cg_exo -58.29 144.62 95.67 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.78 2.32 . . . . 10.0 112.258 179.56 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 26.5 Cg_exo -60.94 -24.53 79.62 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.774 2.316 . . . . 10.0 113.122 -179.475 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -65.53 -45.34 83.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.04 0.448 . . . . 10.0 111.299 -179.874 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -78.11 -14.93 59.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.64 -178.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -82.83 111.62 18.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.149 -0.478 . . . . 10.0 112.122 -178.852 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -113.18 113.08 24.84 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.926 -0.768 . . . . 10.0 108.926 178.218 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 41.1 mt -91.07 116.53 28.88 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.869 0.366 . . . . 10.0 111.295 -178.288 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -112.58 137.38 45.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.277 179.643 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.487 ' HB3' HD21 ' B' ' 50' ' ' LEU . 32.7 t80 -134.46 124.37 25.5 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.037 -0.727 . . . . 10.0 109.037 178.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.09 13.96 6.17 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.089 -0.505 . . . . 10.0 112.097 179.516 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.7 -3.87 39.41 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.651 -0.785 . . . . 10.0 113.739 179.349 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -119.89 157.82 27.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 117.442 0.621 . . . . 10.0 110.488 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -88.53 144.77 26.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.321 0.581 . . . . 10.0 111.578 -178.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.487 HD21 ' HB3' ' B' ' 45' ' ' PHE . 19.8 mt -95.88 139.38 32.17 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.429 -0.805 . . . . 10.0 109.722 179.25 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.484 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 1.9 mt-10 -80.47 139.68 36.3 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.574 -0.528 . . . . 10.0 109.574 179.674 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.44 -40.13 74.27 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.286 0.476 . . . . 10.0 112.286 -179.101 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.39 46.33 3.2 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.84 -0.695 . . . . 10.0 113.235 -179.222 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.484 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 34.1 mmt180 -133.57 162.0 33.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.907 0.354 . . . . 10.0 110.425 179.399 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.09 160.47 14.61 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.993 179.395 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.417 HD12 ' O ' ' B' ' 18' ' ' GLU . 96.7 mt -62.49 -35.28 78.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.86 0.362 . . . . 10.0 110.895 -179.548 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.16 -20.99 66.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.706 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -66.66 -32.85 74.43 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.834 0.349 . . . . 10.0 110.958 -179.331 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -105.02 9.22 34.5 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.824 0.345 . . . . 10.0 110.21 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 63.89 32.18 13.42 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.557 -0.747 . . . . 10.0 111.265 -179.847 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 67.0 mt -77.79 107.47 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.122 0.487 . . . . 10.0 110.033 179.58 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -97.05 -165.43 1.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.616 -0.72 . . . . 10.0 111.327 -179.172 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 31.1 pttt -76.29 152.02 36.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.771 -0.65 . . . . 10.0 111.035 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 69.83 16.05 7.84 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.818 0.699 . . . . 10.0 111.651 179.45 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 28.3 m -82.1 150.3 27.57 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.787 0.327 . . . . 10.0 110.698 179.669 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.1 m -107.69 130.06 54.96 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.335 179.821 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 20.1 mt -110.86 145.92 37.39 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.877 0.37 . . . . 10.0 110.866 -179.497 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.544 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 34.7 m170 -101.07 119.47 38.8 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.168 179.691 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 43.4 tp -99.96 100.23 11.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.029 0.442 . . . . 10.0 110.467 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.533 HG11 HD12 ' D' ' 494' ' ' LEU . 54.8 t -86.28 131.47 34.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.16 -179.408 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 31.6 mt -90.97 134.23 34.65 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.029 -0.73 . . . . 10.0 109.029 178.845 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 C-N-CA 121.127 -0.229 . . . . 10.0 110.953 -179.786 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.26 0 CA-C-O 120.841 0.353 . . . . 10.0 111.469 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -71.82 -43.09 66.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.054 0.454 . . . . 10.0 110.179 -179.797 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 457' ' ' LEU . . . . . 0.519 HD22 ' HB3' ' D' ' 480' ' ' LEU . 57.7 mt -63.82 -41.1 97.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -60.63 -41.88 95.78 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.385 -0.371 . . . . 10.0 110.872 179.861 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -67.55 -46.39 72.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.905 179.771 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 42.2 mtm -62.64 -40.96 98.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.643 179.757 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.18 -38.72 90.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.476 179.412 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -61.95 -43.48 98.75 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.257 -0.428 . . . . 10.0 110.527 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -57.82 -42.83 85.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.934 0.397 . . . . 10.0 110.723 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 52.8 mt -72.26 -37.17 57.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.987 -0.552 . . . . 10.0 110.034 179.309 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 -60.37 -33.69 72.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.072 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -68.99 -21.33 64.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.816 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . 0.544 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 8.2 mtm -101.48 -19.31 15.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.176 -179.688 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 468' ' ' PHE . . . . . 0.409 ' O ' HG12 ' D' ' 471' ' ' VAL . 0.5 OUTLIER -127.35 80.07 72.28 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-O 121.044 0.45 . . . . 10.0 109.876 179.119 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -77.23 39.45 0.73 Allowed 'Trans proline' 0 CA--C 1.531 0.339 0 C-N-CA 122.682 2.255 . . . . 10.0 112.946 -178.794 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -156.49 23.47 0.35 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.749 0.309 . . . . 10.0 111.299 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 471' ' ' VAL . . . . . 0.409 HG12 ' O ' ' D' ' 468' ' ' PHE . 14.0 p -120.18 134.67 24.09 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.651 -0.25 . . . . 10.0 110.424 -179.912 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 472' ' ' PRO . . . . . 0.458 ' O ' HG23 ' D' ' 476' ' ' VAL . 33.8 Cg_exo -61.4 119.71 6.99 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.501 2.134 . . . . 10.0 112.234 179.295 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -52.45 -45.09 65.88 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.706 -0.679 . . . . 10.0 111.881 -179.138 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 33.7 p-80 -61.57 -31.35 71.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.746 -179.317 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 475' ' ' LEU . . . . . 0.452 HD12 ' HG2' ' D' ' 472' ' ' PRO . 23.1 mt -76.3 -35.53 58.79 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.977 -0.379 . . . . 10.0 109.977 179.528 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 476' ' ' VAL . . . . . 0.458 HG23 ' O ' ' D' ' 472' ' ' PRO . 26.8 t -63.95 -41.4 92.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 109.213 -0.662 . . . . 10.0 109.213 178.69 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 78.8 mt -62.96 -35.27 79.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.521 -0.763 . . . . 10.0 110.099 178.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 478' ' ' GLN . . . . . 0.402 HE21 ' HB3' ' D' ' 478' ' ' GLN . 4.8 tt0 -63.89 -50.24 69.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.383 179.329 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -62.71 -40.67 97.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.211 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 480' ' ' LEU . . . . . 0.519 ' HB3' HD22 ' D' ' 457' ' ' LEU . 0.5 OUTLIER -59.94 -22.99 63.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.835 -0.621 . . . . 10.0 111.401 179.88 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -86.51 -15.59 39.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.941 0.4 . . . . 10.0 111.106 179.721 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -101.02 -52.53 3.26 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.075 -179.576 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 66.5 p -83.08 -49.66 9.3 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.946 -179.061 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 69.3 31.62 3.84 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.898 0.749 . . . . 10.0 110.782 179.744 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 2.0 t -147.16 125.58 12.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.149 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 28.4 m -60.35 -33.07 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 CA-C-N 116.631 -0.259 . . . . 10.0 111.642 -179.236 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -63.34 -53.97 44.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.045 0.45 . . . . 10.0 110.447 179.737 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 30.2 mt -65.56 -39.7 85.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.689 -0.687 . . . . 10.0 112.002 -178.694 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 489' ' ' THR . . . . . 0.44 ' O ' HG13 ' D' ' 493' ' ' ILE . 89.5 m -61.23 -53.13 60.77 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.714 0.264 . . . . 10.0 111.714 -179.4 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 1.4 m -64.3 -35.3 80.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.755 0.312 . . . . 10.0 110.579 -179.738 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -66.77 -39.66 87.94 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.491 -0.559 . . . . 10.0 109.491 179.007 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 492' ' ' ASN . . . . . 0.469 ' HB3' ' HB3' ' D' ' 497' ' ' ARG . 21.6 m-20 -59.41 -36.11 75.24 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.631 -0.713 . . . . 10.0 110.618 179.008 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 493' ' ' ILE . . . . . 0.44 HG13 ' O ' ' D' ' 489' ' ' THR . 47.8 mt -71.23 -37.01 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.443 179.185 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 494' ' ' LEU . . . . . 0.533 HD12 HG11 ' B' ' 70' ' ' VAL . 9.9 mt -82.41 12.81 4.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.894 -0.593 . . . . 10.0 111.408 -179.535 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -122.63 -86.13 0.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.081 -0.34 . . . . 10.0 110.081 179.103 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . -176.42 26.46 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.355 -0.926 . . . . 10.0 112.922 179.838 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 497' ' ' ARG . . . . . 0.469 ' HB3' ' HB3' ' D' ' 492' ' ' ASN . 9.6 tpp180 -90.17 -61.02 1.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.784 0.325 . . . . 10.0 110.262 179.927 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 31.7 mt -84.8 109.3 17.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 179.538 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.481 -179.966 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 110.13 -0.322 . . . . 10.0 110.13 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -100.38 136.42 40.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.924 0.392 . . . . 10.0 111.548 -179.235 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.1 pt -126.57 164.85 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.746 -0.661 . . . . 10.0 109.787 178.74 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -122.06 114.46 20.96 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.784 0.326 . . . . 10.0 110.855 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.8 t -101.39 115.22 42.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 179.099 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.1 tttp -107.89 135.09 49.86 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.828 0.347 . . . . 10.0 110.921 -179.303 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.9 p -97.0 172.9 7.56 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.483 179.513 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 67.7 mt -67.02 -13.23 61.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.203 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.58 2.35 56.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.502 . . . . 10.0 111.06 179.864 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.23 -22.5 19.08 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.0 -0.619 . . . . 10.0 112.454 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -58.64 115.74 3.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.899 0.38 . . . . 10.0 110.573 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 m -102.87 128.67 49.55 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.525 -179.521 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mt -111.14 146.83 15.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.708 -179.211 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.7 m -107.37 126.66 52.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.177 179.539 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.8 mt -131.89 138.63 48.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.039 0.447 . . . . 10.0 111.153 -179.624 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -92.29 110.68 22.08 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.566 -0.743 . . . . 10.0 110.112 179.361 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.6 m -132.54 150.25 33.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.047 0.451 . . . . 10.0 110.803 -179.853 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -104.05 158.99 30.76 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.704 -0.68 . . . . 10.0 109.673 179.406 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.7 -15.86 33.92 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.671 2.247 . . . . 10.0 113.062 -179.852 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.99 11.59 29.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.501 -179.831 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -84.66 170.54 13.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.92 0.39 . . . . 10.0 110.281 179.779 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.459 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -121.8 144.37 48.85 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.449 -179.524 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.1 mm -54.96 -41.43 58.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-O 120.907 0.384 . . . . 10.0 110.909 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.54 -42.15 95.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.022 -0.536 . . . . 10.0 110.619 179.179 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -68.76 -39.63 80.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.912 -0.586 . . . . 10.0 110.814 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 22' ' ' THR . 98.0 t -59.62 -42.99 90.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.25 179.277 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -62.64 -34.09 76.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.412 179.39 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.71 -32.86 72.95 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.288 179.109 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -67.94 -41.71 82.1 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.418 -0.586 . . . . 10.0 109.418 178.745 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 54.3 mt -67.98 -35.34 71.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.854 -0.612 . . . . 10.0 109.568 178.711 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -61.07 -36.64 80.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.415 -0.811 . . . . 10.0 111.513 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -79.02 -23.49 44.32 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.414 0.524 . . . . 10.0 112.414 -178.345 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -95.32 -44.85 7.39 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.473 0.546 . . . . 10.0 112.473 -178.674 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -93.9 -26.68 16.77 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.644 0.259 . . . . 10.0 111.658 -178.801 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.87 11.38 63.62 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.616 -0.802 . . . . 10.0 112.523 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.0 mt -87.21 123.13 70.46 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 110.594 -0.151 . . . . 10.0 110.594 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -55.89 138.07 80.8 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.791 2.328 . . . . 10.0 112.457 179.8 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -63.91 -27.57 66.89 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.775 2.317 . . . . 10.0 112.453 -179.489 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -74.26 -20.65 60.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.5 179.773 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -107.87 17.58 22.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.529 -179.343 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -110.54 120.57 42.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.565 -0.743 . . . . 10.0 110.583 -179.833 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -122.71 115.39 21.99 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.99 -0.374 . . . . 10.0 109.99 179.256 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.4 mt -100.22 134.15 43.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.265 -179.249 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mp -125.95 135.28 64.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.137 179.378 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -127.94 117.62 22.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.455 179.407 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.31 21.43 10.91 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.727 -0.669 . . . . 10.0 112.157 179.498 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.99 -6.37 60.0 Favored Glycine 0 CA--C 1.517 0.165 0 C-N-CA 120.738 -0.744 . . . . 10.0 112.847 179.609 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -105.6 130.72 53.58 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.864 -0.421 . . . . 10.0 109.864 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -76.54 137.3 39.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.746 0.307 . . . . 10.0 110.309 -179.631 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.2 mt -89.52 130.29 35.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.986 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.474 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 32.6 mt-10 -82.25 153.03 26.09 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.814 -0.439 . . . . 10.0 109.814 179.231 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.83 -48.62 80.95 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.246 -0.433 . . . . 10.0 111.829 -179.256 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.9 54.76 4.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.796 -0.716 . . . . 10.0 113.014 -179.148 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.474 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 24.8 mmt180 -138.82 161.63 36.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 10.0 110.37 179.551 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 81.4 p -104.39 174.72 5.75 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.174 179.17 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.4 mt -73.1 -35.02 66.51 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.175 0.512 . . . . 10.0 110.069 179.415 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.38 -22.59 63.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.759 -0.655 . . . . 10.0 111.112 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.9 m-20 -58.75 -34.02 70.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.54 -179.855 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -109.17 18.43 20.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.448 -179.325 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.6 t30 58.96 34.32 23.54 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.7 mt -79.13 119.13 27.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.475 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -104.91 -167.85 1.4 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.611 -0.722 . . . . 10.0 109.613 179.319 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -75.34 159.66 31.19 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.316 -0.253 . . . . 10.0 110.316 179.263 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 62.81 30.21 16.67 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.885 179.273 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.5 m -94.86 142.07 27.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.76 0.314 . . . . 10.0 110.513 179.613 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.47 116.49 31.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.835 -179.919 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mp -101.22 137.57 39.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.961 -0.563 . . . . 10.0 109.676 179.797 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -97.81 121.43 39.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.256 -179.517 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.6 tp -104.55 117.88 35.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.587 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.1 t -103.35 134.22 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.438 179.854 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.8 mt . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.783 -179.841 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.597 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 23.2 ptt? . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 120.915 0.388 . . . . 10.0 110.156 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -84.02 135.67 34.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.882 -179.252 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.9 pt -132.64 164.97 33.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.577 178.506 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.482 ' O ' ' HA ' ' B' ' 66' ' ' THR . 56.7 m-85 -125.72 121.18 32.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.696 -0.229 . . . . 10.0 110.559 -179.75 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 45.6 t -105.83 125.12 61.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.581 0.229 . . . . 10.0 110.411 179.7 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.5 ' HE2' ' OE1' ' D' ' 466' ' ' GLU . 45.7 tttp -102.77 142.43 33.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.857 0.361 . . . . 10.0 110.615 -179.821 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 16.6 p -118.13 162.09 18.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.594 179.825 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.4 HD22 ' HB ' ' D' ' 486' ' ' VAL . 18.0 mt -66.28 -15.9 63.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.057 0.456 . . . . 10.0 111.148 179.329 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.63 -2.33 57.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.833 179.491 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.62 26.49 58.86 Favored Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 115.88 -0.6 . . . . 10.0 112.604 179.572 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 35.2 tttm -108.98 126.91 53.6 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.166 -0.309 . . . . 10.0 110.166 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -96.83 123.07 40.43 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.368 179.756 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 28.4 mt -106.41 131.65 55.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.904 -179.168 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.93 131.94 49.51 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.089 -0.505 . . . . 10.0 109.717 179.332 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.477 HD11 HG12 ' B' ' 30' ' ' ILE . 9.2 mt -137.78 156.72 47.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.173 0.511 . . . . 10.0 111.994 -179.052 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -106.11 107.7 18.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.989 -1.005 . . . . 10.0 108.48 178.326 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.597 ' O ' ' HG2' ' B' ' 1' ' ' MET . 14.4 m -135.72 145.17 31.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.988 -178.654 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.553 ' O ' HD12 ' B' ' 56' ' ' LEU . 25.8 mm-40 -96.9 155.14 37.93 Favored Pre-proline 0 C--N 1.318 -0.779 0 N-CA-C 109.603 -0.518 . . . . 10.0 109.603 178.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -56.96 -22.82 48.37 Favored 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 122.461 2.107 . . . . 10.0 112.643 -179.896 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.86 12.66 29.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.867 -179.531 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -84.51 153.44 23.29 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.936 -0.394 . . . . 10.0 109.936 179.579 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.51 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.6 OUTLIER -92.07 148.63 22.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.544 -0.298 . . . . 10.0 111.336 -179.115 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 46.3 mm -58.31 -44.32 88.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.647 179.716 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.27 -34.71 74.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.657 179.662 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -71.4 -37.14 71.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.346 179.731 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.51 HG23 ' O ' ' B' ' 22' ' ' THR . 57.7 t -61.12 -41.39 89.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.421 -0.585 . . . . 10.0 109.421 178.586 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -66.44 -31.04 71.54 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.694 -0.685 . . . . 10.0 110.114 179.122 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.31 -33.73 76.4 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.19 0.519 . . . . 10.0 110.069 178.843 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -69.87 -38.86 76.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.768 179.112 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.477 HG12 HD11 ' B' ' 15' ' ' LEU . 45.1 mt -71.35 -32.56 47.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.575 0.702 . . . . 10.0 109.119 178.214 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.504 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 37.3 tt0 -64.52 -32.26 73.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.997 -1.001 . . . . 10.0 110.215 179.211 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -81.83 -41.3 21.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.994 179.875 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -69.53 -64.06 0.95 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.95 -0.568 . . . . 10.0 112.401 -179.152 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -83.38 -44.66 14.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.418 -0.355 . . . . 10.0 111.468 -178.467 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.504 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 100.6 41.8 2.64 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.552 -0.832 . . . . 10.0 112.076 -179.372 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 58.9 mt -107.69 125.37 32.38 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 110.525 -0.176 . . . . 10.0 110.525 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.22 138.63 54.66 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.859 2.373 . . . . 10.0 112.387 179.443 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.06 -17.06 54.47 Favored 'Trans proline' 0 C--O 1.236 0.375 0 C-N-CA 122.624 2.216 . . . . 10.0 112.411 -179.026 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -73.71 -33.1 64.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.722 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -93.64 -16.19 24.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.88 -179.422 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -74.72 93.78 2.62 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.667 -179.776 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.442 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 12.0 mtp180 -101.1 102.15 13.04 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.852 -0.795 . . . . 10.0 108.852 178.31 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.411 ' HB3' HD12 ' B' ' 50' ' ' LEU . 11.2 mt -83.83 134.63 34.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.995 0.426 . . . . 10.0 111.961 -178.609 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.2 mp -127.16 142.36 43.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.439 -0.8 . . . . 10.0 109.765 179.319 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.456 ' HB3' HD21 ' B' ' 50' ' ' LEU . 59.2 t80 -137.1 109.34 7.28 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.775 -0.454 . . . . 10.0 109.775 179.231 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.35 31.03 10.77 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.425 179.724 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.03 -6.55 79.03 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.656 -0.783 . . . . 10.0 113.338 179.189 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -109.12 140.65 42.41 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 122.633 -0.334 . . . . 10.0 110.185 179.879 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.05 143.43 43.48 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 110.209 -0.293 . . . . 10.0 110.209 179.859 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.456 HD21 ' HB3' ' B' ' 45' ' ' PHE . 81.3 mt -92.13 115.08 27.76 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.244 179.793 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.422 ' HB3' ' CG ' ' B' ' 54' ' ' ARG . 38.6 tt0 -67.38 122.29 17.6 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 178.867 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -53.57 -33.36 54.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.599 -0.728 . . . . 10.0 112.536 -177.939 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.78 24.4 6.7 Favored Glycine 0 CA--C 1.521 0.432 0 C-N-CA 120.88 -0.676 . . . . 10.0 113.745 -179.236 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.422 ' CG ' ' HB3' ' B' ' 51' ' ' GLU . 26.8 mmm-85 -122.56 171.56 9.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 117.335 0.567 . . . . 10.0 110.247 179.406 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.448 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 62.8 p -105.58 175.29 5.55 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.284 179.356 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.553 HD12 ' O ' ' B' ' 18' ' ' GLU . 78.1 mt -68.24 -29.75 68.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.113 0.482 . . . . 10.0 110.282 178.937 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 67.4 m -73.07 -19.13 61.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.842 179.857 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.4 m-20 -65.68 -28.58 69.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.712 179.566 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -116.56 14.76 15.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.856 -179.492 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 57.67 32.21 21.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.686 -0.688 . . . . 10.0 112.026 179.294 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 92.0 mt -69.98 122.88 22.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 179.306 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -113.18 -167.62 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.079 0.466 . . . . 10.0 111.201 -178.518 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 6.2 pttp -73.61 147.08 44.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.328 179.557 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 65.54 11.92 7.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.511 -0.768 . . . . 10.0 112.153 179.484 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 67.0 m -76.82 137.53 39.29 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.894 0.378 . . . . 10.0 110.011 179.177 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.482 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 2.0 m -93.8 124.98 38.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.923 -0.58 . . . . 10.0 111.242 -179.551 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 mp -106.1 154.2 20.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.774 179.499 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.477 ' HB3' ' SD ' ' D' ' 467' ' ' MET . 29.3 m80 -111.97 130.46 55.85 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.515 -0.311 . . . . 10.0 110.234 -179.924 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 50.1 tp -115.02 113.49 24.16 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.829 0.347 . . . . 10.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.442 ' HB ' ' HB2' ' B' ' 42' ' ' ARG . 58.8 t -92.86 125.07 45.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.436 179.842 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 49.1 mt -88.72 105.28 17.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.406 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.468 ' HD2' ' OD1' ' D' ' 491' ' ' ASP . 18.6 ttt85 . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.615 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.372 0 CA-C-O 120.793 0.33 . . . . 10.0 110.337 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -66.57 -36.56 82.94 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.838 -0.43 . . . . 10.0 109.838 179.314 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 77.2 mt -64.41 -42.94 95.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.899 -0.592 . . . . 10.0 110.035 179.147 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 -61.69 -46.31 90.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.168 179.734 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.99 -41.51 97.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.967 -0.56 . . . . 10.0 111.005 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 43.1 mtm -64.73 -36.16 83.39 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -67.15 -30.92 71.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.24 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 462' ' ' HIS . . . . . 0.442 ' O ' ' HG3' ' D' ' 466' ' ' GLU . 67.8 t60 -59.53 -43.86 93.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.795 -179.724 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.51 -33.61 70.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.18 0.514 . . . . 10.0 111.276 -179.673 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 84.6 mt -77.24 -35.64 22.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.363 179.712 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -65.77 -29.86 70.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.634 179.677 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . 0.5 ' OE1' ' HE2' ' B' ' 6' ' ' LYS . 57.1 mt-10 -67.22 -23.4 65.72 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.514 179.252 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . 0.477 ' SD ' ' HB3' ' B' ' 68' ' ' HIS . 32.3 mtm -99.82 -37.28 9.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.716 -179.551 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 468' ' ' PHE . . . . . 0.428 ' O ' HG12 ' D' ' 471' ' ' VAL . 25.4 m-85 -118.51 90.8 40.12 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.192 179.453 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo -82.82 3.08 8.09 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.7 2.267 . . . . 10.0 112.371 -179.383 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -116.12 27.33 9.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.126 -179.738 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 471' ' ' VAL . . . . . 0.459 ' HA ' ' HD3' ' D' ' 472' ' ' PRO . 6.2 p -123.52 137.11 28.02 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.233 -0.439 . . . . 10.0 109.945 179.299 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 472' ' ' PRO . . . . . 0.57 ' HG2' HD12 ' D' ' 475' ' ' LEU . 22.8 Cg_exo -66.79 126.1 14.8 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.534 2.156 . . . . 10.0 112.696 179.516 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -55.12 -45.98 75.56 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.471 -0.786 . . . . 10.0 111.724 -179.483 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 44.7 p-80 -64.83 -25.02 67.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.784 -179.295 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 475' ' ' LEU . . . . . 0.57 HD12 ' HG2' ' D' ' 472' ' ' PRO . 12.4 mt -80.42 -33.6 36.8 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.074 -0.343 . . . . 10.0 110.074 179.315 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 89.6 t -67.61 -40.04 83.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 108.652 -0.87 . . . . 10.0 108.652 178.185 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . 0.449 ' O ' ' HG3' ' D' ' 481' ' ' GLN . 66.1 mt -64.68 -21.39 66.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.149 -0.932 . . . . 10.0 110.709 178.906 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -70.65 -52.43 21.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.236 179.609 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -67.22 -35.25 79.2 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.976 0.417 . . . . 10.0 110.253 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -25.37 62.83 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.749 -0.659 . . . . 10.0 111.226 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 481' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' D' ' 477' ' ' LEU . 77.8 mt-30 -85.25 -15.42 43.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.701 0.286 . . . . 10.0 111.218 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 482' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' D' ' 482' ' ' LEU . 2.1 mm? -98.06 -58.19 2.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.472 -0.331 . . . . 10.0 110.955 -179.524 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 46.9 p -77.62 -44.07 29.48 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.826 0.346 . . . . 10.0 110.658 -179.376 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 68.77 32.7 3.98 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.348 -0.842 . . . . 10.0 111.117 179.532 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 1.9 t -147.43 115.34 6.47 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.355 -0.839 . . . . 10.0 109.127 179.278 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 486' ' ' VAL . . . . . 0.4 ' HB ' HD22 ' B' ' 8' ' ' LEU . 13.0 m -58.12 -33.2 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.371 . . . . 10.0 111.335 -179.651 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 30.1 mp0 -63.28 -52.45 61.95 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.816 179.458 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 488' ' ' ILE . . . . . 0.408 ' O ' ' HB2' ' D' ' 492' ' ' ASN . 60.6 mt -67.09 -40.29 85.05 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.531 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.115 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 489' ' ' THR . . . . . 0.558 ' O ' HG13 ' D' ' 493' ' ' ILE . 65.1 m -57.79 -57.46 12.64 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.082 0.401 . . . . 10.0 112.082 -179.014 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 490' ' ' THR . . . . . 0.45 HG21 ' CE ' ' D' ' 467' ' ' MET . 2.5 m -58.21 -40.1 80.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.126 0.488 . . . . 10.0 111.1 -179.174 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 491' ' ' ASP . . . . . 0.468 ' OD1' ' HD2' ' B' ' 72' ' ' ARG . 6.6 t70 -68.43 -42.07 79.44 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.335 -0.848 . . . . 10.0 110.455 179.664 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 492' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' D' ' 488' ' ' ILE . 53.7 t30 -62.5 -29.36 70.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.383 -0.826 . . . . 10.0 110.633 179.367 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 493' ' ' ILE . . . . . 0.558 HG13 ' O ' ' D' ' 489' ' ' THR . 89.9 mt -63.29 -39.09 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.137 0 N-CA-C 109.329 -0.619 . . . . 10.0 109.329 178.338 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.11 -21.46 65.85 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.557 179.12 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -77.86 -16.52 58.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.83 179.629 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 93.33 14.48 53.79 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.801 -0.714 . . . . 10.0 112.873 179.834 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.73 -46.3 63.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.205 0.526 . . . . 10.0 110.508 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 3.0 mp -81.65 128.8 38.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.317 179.472 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 69.4 mm-40 . . . . . 0 C--N 1.324 -0.502 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.817 -179.439 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.51 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 26.2 ptt? . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.678 0.275 . . . . 10.0 110.359 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -101.0 129.68 46.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.626 179.798 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.2 pt -123.75 160.99 26.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.142 -0.481 . . . . 10.0 109.947 179.176 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.478 ' O ' ' HA ' ' A' ' 66' ' ' THR . 88.6 m-85 -122.64 122.8 39.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.636 0.255 . . . . 10.0 110.763 -179.443 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.8 t -109.14 120.32 60.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.796 -0.446 . . . . 10.0 109.796 179.271 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.2 mttp -106.85 135.35 48.55 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.994 0.425 . . . . 10.0 110.981 -179.502 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 69.0 p -97.33 176.53 5.86 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.358 179.279 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.8 mt -77.9 -7.12 56.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.028 0.442 . . . . 10.0 110.466 179.463 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.77 2.7 52.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.429 -179.767 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.24 27.5 44.13 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.996 -0.621 . . . . 10.0 112.398 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -101.15 125.88 47.81 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.277 -0.268 . . . . 10.0 110.277 -179.754 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.5 m -105.86 102.52 11.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.121 0.486 . . . . 10.0 110.404 179.687 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.4 mp -91.59 121.65 42.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.599 -179.806 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.86 134.83 33.99 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.494 179.052 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.52 147.48 37.85 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.557 0.218 . . . . 10.0 111.204 -179.183 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -113.96 108.43 17.02 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 178.771 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.51 ' O ' ' HG2' ' A' ' 1' ' ' MET . 2.8 m -138.04 -176.36 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.571 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.499 ' O ' HD12 ' A' ' 56' ' ' LEU . 16.1 mm-40 -132.7 160.03 70.07 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 110.255 -0.276 . . . . 10.0 110.255 179.717 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.527 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 50.7 Cg_exo -54.17 -27.21 45.7 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.851 2.367 . . . . 10.0 113.438 -179.869 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.77 0.18 44.89 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.207 0.447 . . . . 10.0 112.207 -179.396 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.83 140.12 35.59 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.889 0.376 . . . . 10.0 110.414 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -81.1 140.29 35.15 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.943 -0.572 . . . . 10.0 110.3 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.5 mm -54.51 -40.75 51.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 120.799 0.333 . . . . 10.0 111.331 -179.713 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.87 -41.76 87.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.414 179.309 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -67.49 -36.39 81.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.965 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.409 ' O ' HG13 ' A' ' 30' ' ' ILE . 86.3 t -61.71 -47.38 93.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.841 178.826 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -63.98 -36.02 82.59 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.197 179.295 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.32 -29.58 70.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.651 179.532 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -76.29 -35.3 58.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.151 179.078 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 26' ' ' VAL . 66.2 mt -67.24 -34.03 66.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.036 179.273 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -65.43 -31.42 72.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.728 179.579 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -78.15 -35.42 48.92 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.166 179.744 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -70.8 -61.38 1.79 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.997 179.566 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -88.79 -70.68 0.63 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.969 -179.07 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.8 44.36 0.13 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 10.0 112.126 -179.688 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.415 HG21 HD22 ' A' ' 71' ' ' LEU . 41.3 mt -114.57 126.64 27.69 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 110.478 -0.193 . . . . 10.0 110.478 -179.324 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.69 139.26 58.47 Favored 'Trans proline' 0 CA--C 1.533 0.436 0 C-N-CA 122.837 2.358 . . . . 10.0 112.377 179.434 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -65.65 -17.19 56.26 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.772 2.315 . . . . 10.0 112.157 -179.473 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -76.56 -33.21 58.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.573 -0.739 . . . . 10.0 110.364 179.398 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -95.09 -6.41 42.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.676 -179.558 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -84.75 111.72 19.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.85 -0.614 . . . . 10.0 111.918 -179.189 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.2 mtt180 -117.24 110.89 18.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.068 178.871 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 70.5 mt -98.1 126.88 43.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.114 -0.493 . . . . 10.0 111.264 -179.835 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -121.81 134.48 64.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.626 179.46 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -130.92 118.5 20.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.533 -0.303 . . . . 10.0 110.596 179.782 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.09 25.05 13.43 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.944 -0.571 . . . . 10.0 112.11 179.257 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.58 -17.14 58.83 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.894 -0.669 . . . . 10.0 112.57 179.873 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -94.91 132.59 39.57 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.034 0.445 . . . . 10.0 111.056 -179.719 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -79.1 133.12 36.77 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.343 179.325 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.6 mt -83.9 123.43 29.93 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.798 0.333 . . . . 10.0 110.742 -179.251 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.511 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 6.1 mt-10 -80.92 145.72 31.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.326 179.789 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -55.97 -49.12 74.45 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.654 0.613 . . . . 10.0 112.654 -178.797 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.77 32.88 3.36 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 120.731 -0.747 . . . . 10.0 114.641 -177.631 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.511 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 41.3 mmt-85 -124.63 167.15 14.91 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 117.665 0.732 . . . . 10.0 110.326 179.341 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.1 p -107.98 165.04 11.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.502 -0.317 . . . . 10.0 110.924 179.69 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.527 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 90.7 mt -63.5 -31.08 72.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.149 -179.848 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 p -70.99 -18.84 62.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.747 -179.574 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -66.57 -30.61 70.95 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.849 0.357 . . . . 10.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -107.03 13.05 27.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.487 -179.602 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 59.0 32.33 22.18 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.273 -0.876 . . . . 10.0 111.56 -179.693 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.0 mt -73.78 111.17 8.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.837 -0.431 . . . . 10.0 109.837 179.73 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -103.2 -164.93 1.12 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.628 -179.287 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -74.68 155.38 37.8 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.695 0.283 . . . . 10.0 111.256 -179.724 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 65.15 13.74 8.93 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.655 -0.702 . . . . 10.0 112.401 179.656 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.3 m -78.67 145.18 34.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.734 0.302 . . . . 10.0 110.549 179.821 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.478 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 72.1 m -106.22 119.62 39.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.779 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 mp -102.08 147.91 26.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.637 -0.71 . . . . 10.0 109.645 179.63 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 22.9 m80 -104.85 128.88 53.2 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.981 -0.377 . . . . 10.0 109.981 179.9 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.1 tp -109.12 112.36 24.49 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.052 0.453 . . . . 10.0 111.11 -179.611 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.4 t -105.66 133.29 50.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.677 -0.692 . . . . 10.0 109.186 178.928 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.415 HD22 HG21 ' A' ' 36' ' ' ILE . 61.8 mt . . . . . 0 C--N 1.323 -0.586 0 CA-C-O 120.716 0.293 . . . . 10.0 110.849 -179.244 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptt? . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 110.154 -0.313 . . . . 10.0 110.154 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 60.4 mm-40 -107.75 145.34 33.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.845 0.355 . . . . 10.0 111.543 -179.149 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 23.3 pt -130.98 161.07 41.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.675 178.624 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -114.36 108.24 16.63 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.655 0.264 . . . . 10.0 110.871 -179.287 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 83.5 t -95.58 118.07 41.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.441 -0.577 . . . . 10.0 109.441 178.877 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -103.22 139.1 39.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.046 0.45 . . . . 10.0 111.051 -178.879 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 7.9 p -111.68 168.08 9.84 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.749 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 28.0 mt -69.51 -13.07 62.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.163 179.804 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.83 -1.31 57.12 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.615 179.398 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.83 12.46 79.8 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.95 -0.568 . . . . 10.0 112.485 179.587 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -94.73 128.52 41.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.614 0.245 . . . . 10.0 110.401 -179.885 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.8 m -108.26 111.37 23.29 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 179.413 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mt -99.72 129.99 49.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.967 -0.56 . . . . 10.0 111.202 -178.244 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -94.71 129.37 41.65 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.276 -0.639 . . . . 10.0 109.276 178.457 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mp -131.85 153.17 50.46 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.946 0.403 . . . . 10.0 111.596 -179.229 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -94.83 118.05 31.13 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.405 -0.816 . . . . 10.0 109.807 179.571 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 14.0 m -137.54 165.91 25.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.602 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.554 ' O ' HD12 ' B' ' 56' ' ' LEU . 75.3 mm-40 -119.24 154.59 53.82 Favored Pre-proline 0 C--N 1.32 -0.702 0 N-CA-C 109.454 -0.573 . . . . 10.0 109.454 179.684 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -57.1 -29.5 83.45 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.319 2.013 . . . . 10.0 112.605 -179.713 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.88 4.64 51.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.151 -0.477 . . . . 10.0 111.561 -179.719 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -71.42 140.25 50.02 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.874 -0.417 . . . . 10.0 109.874 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.3 m -81.95 143.02 31.93 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.776 -179.405 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 50.8 mm -55.59 -35.61 39.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 116.255 -0.429 . . . . 10.0 111.207 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.52 -36.31 75.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.747 179.473 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.43 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 97.6 m-20 -65.73 -38.6 89.6 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 179.615 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 28.8 t -61.68 -42.09 92.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.749 -0.66 . . . . 10.0 109.915 179.492 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -58.56 -42.23 87.46 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.692 -0.685 . . . . 10.0 110.246 179.425 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.4 -39.59 85.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.872 179.741 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 98.9 mttt -63.42 -42.43 98.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.601 179.791 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 90.7 mt -64.94 -34.95 73.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.094 0.473 . . . . 10.0 110.175 179.298 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.406 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 61.2 tt0 -66.85 -29.79 69.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.689 179.741 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -76.55 -18.32 58.75 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.863 0.363 . . . . 10.0 111.061 179.864 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -98.18 -55.91 2.63 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.321 -0.399 . . . . 10.0 111.346 -179.616 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -85.81 -38.05 18.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.163 0.506 . . . . 10.0 111.467 -179.128 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 98.94 2.01 57.18 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.913 -0.66 . . . . 10.0 111.943 -178.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.9 mt -78.78 120.64 81.64 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 110.205 -0.295 . . . . 10.0 110.205 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 32.0 Cg_exo -58.36 143.96 96.86 Favored 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 122.521 2.148 . . . . 10.0 111.918 179.183 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 48.0 Cg_exo -55.72 -25.11 49.51 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.215 2.61 . . . . 10.0 113.037 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -68.5 -17.24 64.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.436 . . . . 10.0 111.079 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -114.52 9.58 16.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.389 -179.844 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -100.98 126.26 47.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.331 -179.317 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -123.36 106.09 10.38 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.143 -0.481 . . . . 10.0 109.793 178.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 37.5 mt -93.06 123.19 36.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.983 -178.898 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.414 HG12 ' CZ ' ' D' ' 468' ' ' PHE . 1.6 mp -119.39 133.98 64.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.479 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.759 ' HB3' HD21 ' B' ' 50' ' ' LEU . 81.1 t80 -137.14 129.57 29.87 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.306 -0.627 . . . . 10.0 109.306 179.203 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.59 34.46 22.33 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.022 -0.535 . . . . 10.0 111.482 -179.754 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.63 26.24 70.19 Favored Glycine 0 C--N 1.332 0.33 0 CA-C-N 115.96 -0.564 . . . . 10.0 113.799 178.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -147.39 159.83 43.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.948 0.374 . . . . 10.0 110.702 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -83.14 154.67 24.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.934 0.397 . . . . 10.0 111.647 -179.491 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.759 HD21 ' HB3' ' B' ' 45' ' ' PHE . 28.0 mt -112.67 135.43 53.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.614 179.033 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.48 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 7.4 mt-10 -83.04 147.07 28.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.831 0.348 . . . . 10.0 110.288 179.816 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.62 -29.97 69.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.359 -179.192 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.11 37.7 3.3 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.796 -0.716 . . . . 10.0 112.693 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.48 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 33.3 mmt180 -134.07 166.25 23.18 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.052 -0.351 . . . . 10.0 110.052 179.436 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.565 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 35.6 p -106.89 171.82 7.16 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.871 178.845 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.554 HD12 ' O ' ' B' ' 18' ' ' GLU . 88.3 mt -68.48 -38.4 80.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.939 0.399 . . . . 10.0 110.693 179.835 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 24.6 m -69.25 -12.84 62.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.134 179.864 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.565 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.0 OUTLIER -66.61 -34.55 78.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.053 0.454 . . . . 10.0 110.544 179.705 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -108.83 19.5 19.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.19 -179.225 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 61.2 31.52 19.54 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.328 179.633 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 82.8 mt -78.88 117.66 24.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.016 0.436 . . . . 10.0 110.643 -179.519 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -102.5 -169.68 1.7 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.21 179.636 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -80.85 157.96 25.51 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.596 -0.52 . . . . 10.0 109.596 178.793 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 67.13 18.72 10.45 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.62 0.575 . . . . 10.0 111.112 -179.891 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.8 m -87.62 150.9 23.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.473 -0.33 . . . . 10.0 110.408 179.614 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.7 m -102.15 127.8 48.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.07 179.759 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mp -111.43 133.67 53.56 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 179.441 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.588 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 54.4 m80 -92.31 119.29 31.74 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.565 -0.289 . . . . 10.0 110.692 -179.511 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 44.8 tp -101.68 101.01 11.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.116 0.484 . . . . 10.0 110.031 179.061 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 53.5 t -83.12 127.73 39.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.584 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 49.5 mt -82.86 146.55 28.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.987 179.712 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.418 ' HG3' ' CG ' ' D' ' 491' ' ' ASP . 26.3 ttt180 . . . . . 0 C--N 1.322 -0.604 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.559 179.854 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 121.004 0.431 . . . . 10.0 110.525 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -64.15 -39.45 94.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.193 179.307 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 42.6 mt -67.61 -45.4 75.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.08 179.53 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -59.73 -43.42 94.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.465 179.371 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -65.39 -44.76 86.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.122 179.836 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 57.1 mtm -65.23 -43.41 91.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.57 -38.46 91.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.497 179.605 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -58.76 -38.62 78.84 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.889 179.136 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -68.38 -38.98 81.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.394 179.514 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 76.7 mt -68.15 -35.0 69.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.481 179.696 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -61.41 -28.36 69.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.115 -179.807 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -86.91 -6.66 58.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.048 0.451 . . . . 10.0 110.816 179.507 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . 0.588 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 74.4 mmm -94.58 -39.21 10.49 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 179.172 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 468' ' ' PHE . . . . . 0.524 ' O ' HG12 ' D' ' 471' ' ' VAL . 0.9 OUTLIER -131.77 88.03 43.53 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.993 179.095 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -75.97 31.53 0.39 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.681 2.254 . . . . 10.0 112.93 -179.492 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -133.8 14.01 4.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.236 -179.765 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 471' ' ' VAL . . . . . 0.524 HG12 ' O ' ' D' ' 468' ' ' PHE . 11.4 p -119.41 135.92 24.29 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.178 -179.843 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 472' ' ' PRO . . . . . 0.443 ' O ' HG23 ' D' ' 476' ' ' VAL . 31.7 Cg_exo -60.82 116.48 3.38 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 122.569 2.179 . . . . 10.0 112.267 179.389 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -54.38 -41.21 68.95 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.798 -0.637 . . . . 10.0 112.282 -179.031 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -64.42 -25.69 68.13 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.681 0.276 . . . . 10.0 111.514 -179.461 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 475' ' ' LEU . . . . . 0.409 HD12 ' HG2' ' D' ' 472' ' ' PRO . 24.0 mt -83.95 -31.18 25.71 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.682 -0.488 . . . . 10.0 109.682 179.184 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 476' ' ' VAL . . . . . 0.443 HG23 ' O ' ' D' ' 472' ' ' PRO . 58.2 t -66.14 -46.95 86.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 178.687 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.01 -25.66 68.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.45 -0.796 . . . . 10.0 110.394 179.351 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -68.54 -45.72 71.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.152 179.268 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -66.04 -34.08 77.26 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 179.433 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -61.26 -17.86 55.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.449 -0.796 . . . . 10.0 111.224 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -83.5 -18.93 36.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.889 0.376 . . . . 10.0 110.837 179.334 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -103.66 -47.18 4.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.63 -178.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 55.6 p -87.11 -50.02 6.91 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.636 -0.256 . . . . 10.0 111.49 -179.041 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 20.1 mtt180 66.53 27.38 9.7 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.099 -0.501 . . . . 10.0 111.237 179.838 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 3.9 t -147.47 128.63 14.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.939 0.399 . . . . 10.0 110.851 -179.67 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 19.8 m -66.7 -24.13 32.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.844 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -75.45 -11.88 60.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.29 -179.78 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 33.4 mt -109.04 -48.38 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.387 -0.369 . . . . 10.0 110.397 179.475 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 489' ' ' THR . . . . . 0.548 ' O ' HG13 ' D' ' 493' ' ' ILE . 35.4 m -55.76 -59.29 5.07 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.39 -0.368 . . . . 10.0 111.657 -179.553 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -35.02 74.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.482 -179.229 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 491' ' ' ASP . . . . . 0.418 ' CG ' ' HG3' ' B' ' 72' ' ' ARG . 0.0 OUTLIER -68.33 -52.44 33.36 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.646 -0.502 . . . . 10.0 109.646 178.776 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' D' D ' 492' ' ' ASN . . . . . 0.433 ' HB3' ' HB3' ' D' ' 497' ' ' ARG . 1.1 m-80 -60.81 -20.14 60.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.21 -0.905 . . . . 10.0 111.74 -179.845 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 493' ' ' ILE . . . . . 0.548 HG13 ' O ' ' D' ' 489' ' ' THR . 34.3 mt -64.7 -42.45 95.07 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 N-CA-C 109.384 -0.599 . . . . 10.0 109.384 178.116 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 5.6 mt -77.91 -12.93 60.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.204 179.56 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -84.82 -56.0 3.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.848 -0.614 . . . . 10.0 110.636 179.639 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 140.0 26.91 0.23 Allowed Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.629 -0.796 . . . . 10.0 112.732 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 497' ' ' ARG . . . . . 0.433 ' HB3' ' HB3' ' D' ' 492' ' ' ASN . 22.7 tpp180 -79.82 -53.41 6.81 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.59 -0.522 . . . . 10.0 109.59 179.189 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 4.5 mp -86.94 124.9 40.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.403 179.394 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 . . . . . 0 C--N 1.325 -0.489 0 CA-C-O 121.084 0.468 . . . . 10.0 111.164 -179.322 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.482 1.135 0 CA-C-O 120.624 0.25 . . . . 10.0 110.524 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -102.15 143.54 31.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.819 0.342 . . . . 10.0 111.383 -179.468 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.5 pt -132.61 163.0 38.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 177.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.516 ' O ' ' HA ' ' A' ' 66' ' ' THR . 47.3 m-85 -118.9 118.66 32.14 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.82 0.343 . . . . 10.0 110.898 -179.431 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.7 t -101.9 114.98 42.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.817 -0.438 . . . . 10.0 109.817 179.294 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -99.8 128.71 45.88 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.105 0.478 . . . . 10.0 110.69 -179.643 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.3 p -96.54 168.79 10.32 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.656 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.2 mt -64.45 -21.27 66.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.182 0.515 . . . . 10.0 110.271 179.106 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.82 -15.23 60.75 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.194 -0.912 . . . . 10.0 111.087 179.608 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.71 -1.96 64.14 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.845 -0.693 . . . . 10.0 111.714 -179.109 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -80.69 125.56 30.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.669 0.271 . . . . 10.0 110.316 -179.799 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -105.19 115.96 31.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.418 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.9 mt -103.41 128.94 56.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.728 -179.392 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.3 m -89.02 125.81 35.15 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.6 -0.518 . . . . 10.0 109.6 178.69 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.3 mt -123.17 146.99 47.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.871 0.367 . . . . 10.0 111.469 -179.28 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -97.71 112.72 24.49 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.684 178.851 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.8 m -135.76 -178.94 2.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.681 -0.691 . . . . 10.0 110.377 -179.541 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.479 ' O ' HD12 ' A' ' 56' ' ' LEU . 15.8 mm-40 -131.86 156.95 79.47 Favored Pre-proline 0 C--N 1.319 -0.722 0 N-CA-C 109.151 -0.685 . . . . 10.0 109.151 179.285 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.97 -36.93 93.62 Favored 'Trans proline' 0 CA--C 1.528 0.214 0 C-N-CA 122.081 1.854 . . . . 10.0 112.615 -179.768 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.04 15.9 4.67 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.234 0.457 . . . . 10.0 112.234 -179.117 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -81.7 146.56 29.95 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.196 -0.298 . . . . 10.0 110.196 179.597 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.42 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -89.95 144.81 25.6 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.809 -179.506 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.402 HG12 ' O ' ' A' ' 54' ' ' ARG . 44.8 mm -57.7 -40.0 73.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.871 0.367 . . . . 10.0 110.8 179.715 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -62.1 -36.31 81.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.269 179.187 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -69.32 -36.96 77.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.723 179.5 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 22' ' ' THR . 95.5 t -64.72 -38.53 82.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.527 -0.76 . . . . 10.0 109.827 178.917 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.411 ' HD2' ' OD2' ' A' ' 52' ' ' ASP . 86.5 mttt -59.21 -41.17 87.95 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.477 178.819 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.44 -34.01 77.21 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.326 179.362 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -68.36 -37.87 80.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.893 -0.594 . . . . 10.0 109.846 179.091 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 88.1 mt -70.43 -37.03 69.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.284 -0.635 . . . . 10.0 109.284 178.514 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.417 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 64.6 tt0 -67.04 -27.48 67.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.729 -0.669 . . . . 10.0 109.847 178.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -69.67 -40.26 76.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.051 178.86 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -78.81 -61.93 1.86 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.822 -0.626 . . . . 10.0 111.796 -179.257 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -79.34 -47.66 15.42 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -177.928 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 108.68 -9.54 34.88 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.62 -0.8 . . . . 10.0 111.814 -179.05 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.0 mt -68.63 123.98 89.03 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.761 -0.219 . . . . 10.0 111.022 -179.746 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 50.9 Cg_exo -55.7 147.78 58.45 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 123.097 2.531 . . . . 10.0 112.958 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 39.6 Cg_exo -60.05 -21.4 65.16 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.093 2.529 . . . . 10.0 112.861 -179.608 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.61 -25.68 64.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.06 -179.66 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -103.1 6.76 38.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.67 -179.266 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -99.86 118.65 36.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.81 -179.198 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -122.25 97.71 5.6 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 177.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.1 mt -85.39 132.73 34.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.009 -0.541 . . . . 10.0 111.49 -179.023 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mt -129.48 135.38 61.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.973 179.719 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.401 ' HB3' HD21 ' A' ' 50' ' ' LEU . 71.9 t80 -131.37 124.82 31.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.295 -0.411 . . . . 10.0 110.375 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.14 11.94 4.71 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 123.71 0.631 . . . . 10.0 112.333 179.041 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.51 -11.42 35.96 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.796 -0.716 . . . . 10.0 112.672 179.742 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -102.73 142.99 32.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.787 0.293 . . . . 10.0 110.582 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -82.26 137.22 34.92 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.411 -0.588 . . . . 10.0 109.411 179.127 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.401 HD21 ' HB3' ' A' ' 45' ' ' PHE . 20.7 mt -85.82 138.12 32.29 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.818 -179.362 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -92.46 135.24 34.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.05 -0.523 . . . . 10.0 109.895 178.796 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.411 ' OD2' ' HD2' ' A' ' 27' ' ' LYS . 1.9 m-20 -53.7 -36.51 62.3 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.822 0.675 . . . . 10.0 112.822 -178.913 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.38 25.62 7.91 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.588 -0.815 . . . . 10.0 113.994 -178.575 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.402 ' O ' HG12 ' A' ' 23' ' ' ILE . 73.2 mmt-85 -124.49 163.91 20.85 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 117.397 0.598 . . . . 10.0 110.671 179.826 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.3 p -104.16 170.4 7.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.526 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 18' ' ' GLU . 91.2 mt -67.26 -30.23 70.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.984 0.421 . . . . 10.0 110.361 179.26 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -23.79 64.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.206 179.523 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -68.68 -23.84 64.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.216 0.531 . . . . 10.0 110.704 -179.7 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -111.03 5.64 20.39 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.39 179.1 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 55.08 43.24 29.95 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 114.764 -1.107 . . . . 10.0 111.308 -179.85 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 68.4 mt -82.94 117.21 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.866 -0.606 . . . . 10.0 109.976 179.69 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -96.02 -175.91 3.53 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.283 179.738 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -71.6 156.54 39.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.8 0.333 . . . . 10.0 111.133 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 63.98 22.98 13.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.575 -0.739 . . . . 10.0 112.201 179.083 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.3 m -93.96 143.85 25.98 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.557 -0.535 . . . . 10.0 109.557 178.647 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.516 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 30.1 m -98.07 126.03 43.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.001 0.429 . . . . 10.0 111.528 -179.345 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -106.87 142.27 36.77 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.801 -0.814 . . . . 10.0 108.801 179.052 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -97.53 128.95 44.69 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.646 0.26 . . . . 10.0 110.357 -179.57 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.5 tp -111.67 108.87 18.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.007 0.432 . . . . 10.0 110.929 179.801 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.6 t -98.14 130.15 47.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.903 -0.589 . . . . 10.0 109.496 178.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.7 mt . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.492 -179.737 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.485 1.28 0 CA-C-O 120.807 0.337 . . . . 10.0 110.256 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 -100.46 135.52 41.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.181 0.515 . . . . 10.0 111.595 -179.231 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 24.9 pt -120.86 163.26 18.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.432 -0.804 . . . . 10.0 109.672 178.687 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.502 ' O ' ' HA ' ' B' ' 66' ' ' THR . 72.7 m-85 -116.65 116.46 27.59 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.773 0.32 . . . . 10.0 111.034 -179.506 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 67.2 t -101.82 114.04 39.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.511 -0.551 . . . . 10.0 109.511 179.145 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -97.56 125.45 42.28 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.389 -0.369 . . . . 10.0 110.481 -179.041 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 19.3 p -101.12 163.69 12.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.799 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.458 HD11 HG21 ' D' ' 490' ' ' THR . 86.6 mt -66.26 -19.58 65.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.311 179.567 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.67 2.31 26.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.024 179.666 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.67 24.62 64.57 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 121.091 -0.576 . . . . 10.0 112.416 179.651 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -108.16 121.01 43.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.798 0.333 . . . . 10.0 110.346 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -100.37 107.43 19.19 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.17 -0.468 . . . . 10.0 109.925 179.449 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 7.3 mt -97.79 136.25 29.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.019 -178.665 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.63 144.41 27.32 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.524 -0.547 . . . . 10.0 109.524 178.946 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 60.2 mt -140.34 144.24 36.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.738 0.304 . . . . 10.0 111.586 -179.306 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -94.93 99.5 11.52 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.977 -0.749 . . . . 10.0 108.977 178.567 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 17.0 m -121.09 164.35 17.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.764 -179.122 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.408 ' O ' HD12 ' B' ' 56' ' ' LEU . 23.1 mm-40 -116.89 156.96 47.49 Favored Pre-proline 0 C--N 1.316 -0.867 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.135 -179.668 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.55 -27.01 81.03 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.301 2.001 . . . . 10.0 111.906 179.382 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.29 5.88 50.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.729 -0.669 . . . . 10.0 111.606 -179.612 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -78.54 144.22 35.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.968 0.413 . . . . 10.0 110.426 -179.666 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.417 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.2 OUTLIER -92.98 146.95 23.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.761 -179.128 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 46.7 mm -55.34 -37.49 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.413 -179.442 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -58.28 -43.5 88.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.711 179.43 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -69.58 -35.83 75.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.747 -179.821 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 22' ' ' THR . 81.1 t -61.38 -43.65 97.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.275 179.636 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -64.45 -32.75 74.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.822 179.7 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.18 -33.73 76.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 10.0 110.135 179.152 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -67.48 -34.75 77.79 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.288 179.292 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 59.5 mt -72.14 -33.13 45.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.558 178.891 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -68.3 -32.35 72.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.424 -0.807 . . . . 10.0 110.208 179.262 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -72.1 -36.45 69.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.92 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -80.39 -59.83 2.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.165 -0.471 . . . . 10.0 112.219 -179.146 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -86.59 -47.14 9.46 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.387 0.514 . . . . 10.0 112.387 -178.067 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.09 21.73 7.58 Favored Glycine 0 C--O 1.228 -0.237 0 C-N-CA 120.285 -0.959 . . . . 10.0 112.769 -179.743 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 57.8 mt -94.67 124.9 53.46 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.973 -0.38 . . . . 10.0 109.973 179.692 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.467 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 52.0 Cg_exo -54.28 131.59 45.92 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.547 2.165 . . . . 10.0 112.251 179.904 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 53.0 Cg_exo -55.81 -21.2 31.82 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.34 2.693 . . . . 10.0 113.175 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -71.37 -32.73 68.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.089 0.471 . . . . 10.0 110.243 179.547 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -89.66 -11.21 43.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.666 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -80.32 97.68 7.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.774 179.795 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.542 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 41.3 mtp180 -97.41 90.56 5.11 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 179.155 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 25.6 mt -76.76 130.27 37.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.652 -0.703 . . . . 10.0 111.653 -179.361 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mp -124.12 142.45 40.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.088 179.625 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -134.66 111.24 9.84 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.355 -0.609 . . . . 10.0 109.355 178.653 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.13 17.82 11.2 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.718 -0.674 . . . . 10.0 111.8 179.767 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.59 -3.99 42.96 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.675 -0.774 . . . . 10.0 112.795 179.603 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -110.6 140.49 44.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.584 0.192 . . . . 10.0 110.534 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.02 139.49 40.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.945 0.402 . . . . 10.0 110.517 179.513 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 62.1 mt -84.4 127.34 33.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.391 179.757 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.545 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 34.2 mt-10 -80.41 149.55 30.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.838 0.351 . . . . 10.0 110.299 179.439 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.67 -28.74 65.01 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.919 -0.582 . . . . 10.0 112.113 -178.198 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -94.02 31.21 6.78 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.935 -0.65 . . . . 10.0 113.417 -178.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.545 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 16.7 mmt180 -130.55 160.55 33.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 117.066 0.433 . . . . 10.0 109.984 179.565 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.484 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 56.7 p -105.04 171.11 7.49 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.096 -0.335 . . . . 10.0 110.096 179.348 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.408 HD12 ' O ' ' B' ' 18' ' ' GLU . 40.3 mt -64.28 -35.57 81.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.857 0.36 . . . . 10.0 111.167 -179.653 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 16.8 m -65.26 -22.83 66.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.098 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.484 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.8 m-20 -65.63 -30.28 70.98 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.196 -0.457 . . . . 10.0 111.295 -179.424 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -106.19 17.5 23.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.908 -178.549 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 64.01 22.57 12.99 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 120.712 0.291 . . . . 10.0 111.646 179.298 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 76.1 mt -77.28 128.14 38.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.885 0.374 . . . . 10.0 110.667 -179.559 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -128.2 -161.9 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.07 -0.513 . . . . 10.0 110.17 -179.429 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -69.49 148.57 49.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.642 0.258 . . . . 10.0 111.08 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 66.2 9.06 6.02 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.529 -0.759 . . . . 10.0 112.553 178.743 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 55.0 m -77.11 134.92 38.58 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.159 -0.311 . . . . 10.0 110.159 179.511 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.502 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 17.3 m -93.47 131.47 38.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.131 -179.816 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.8 mp -110.49 144.86 38.67 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.717 -0.674 . . . . 10.0 109.906 179.839 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.575 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 26.4 m80 -96.23 135.85 37.49 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.111 -0.495 . . . . 10.0 109.699 179.718 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 51.9 tp -126.14 112.45 15.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.289 0.566 . . . . 10.0 111.454 -179.614 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.542 ' HB ' ' HB2' ' B' ' 42' ' ' ARG . 23.0 t -83.64 122.09 37.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.575 -0.739 . . . . 10.0 109.858 179.119 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 10.5 mt -86.64 109.42 19.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.181 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.623 0 CA-C-O 120.911 0.386 . . . . 10.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.529 0.159 0 N-CA-C 112.154 0.427 . . . . 10.0 112.154 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 42.7 mm-40 -89.18 -32.28 17.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.914 0.388 . . . . 10.0 110.747 -179.879 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 457' ' ' LEU . . . . . 0.405 HD13 ' HG2' ' D' ' 481' ' ' GLN . 64.6 mt -60.67 -48.6 81.05 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.822 -0.626 . . . . 10.0 111.17 -179.727 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -65.4 -36.83 85.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.612 -0.267 . . . . 10.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -66.62 -46.33 76.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.011 -179.87 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 74.0 mtm -64.41 -42.07 96.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.521 179.788 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -69.14 -30.95 69.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.237 -179.77 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -57.12 -44.98 83.8 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.553 -0.294 . . . . 10.0 111.322 -179.838 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 463' ' ' GLN . . . . . 0.439 ' NE2' ' HA ' ' D' ' 463' ' ' GLN . 4.6 tp60 -64.5 -34.54 78.45 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.739 -0.384 . . . . 10.0 110.872 -179.299 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 71.8 mt -69.41 -38.8 77.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.57 -0.53 . . . . 10.0 109.57 178.896 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -62.06 -35.7 79.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.283 -0.871 . . . . 10.0 111.007 179.697 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -72.12 -22.03 61.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.764 179.651 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 467' ' ' MET . . . . . 0.575 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 6.0 mtm -91.2 -26.66 18.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.16 -179.261 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 468' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -121.56 82.44 40.48 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 110.107 -0.331 . . . . 10.0 110.107 179.376 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -76.07 35.77 0.46 Allowed 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.939 2.426 . . . . 10.0 112.968 -179.075 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -150.5 13.21 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 10.0 111.177 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 471' ' ' VAL . . . . . . . . . . . . . 8.3 p -118.29 132.8 23.61 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.584 -0.28 . . . . 10.0 110.577 -179.754 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 472' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -58.87 126.71 21.92 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.44 2.093 . . . . 10.0 112.095 178.455 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -56.77 -37.23 70.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.687 -0.688 . . . . 10.0 112.166 -178.772 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 19.3 p-80 -65.96 -26.44 67.57 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.987 -0.285 . . . . 10.0 111.432 -179.411 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 475' ' ' LEU . . . . . 0.429 ' O ' ' HB3' ' D' ' 478' ' ' GLN . 25.7 mt -77.18 -32.01 55.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.365 . . . . 10.0 110.187 179.436 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 23.2 t -69.17 -41.1 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.556 179.288 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.98 -26.43 68.57 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.476 -0.784 . . . . 10.0 110.571 179.21 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 478' ' ' GLN . . . . . 0.429 ' HB3' ' O ' ' D' ' 475' ' ' LEU . 0.0 OUTLIER -64.17 -53.11 54.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.585 179.668 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' D' D ' 479' ' ' ASP . . . . . 0.402 ' HB3' HG23 ' D' ' 489' ' ' THR . 11.5 t70 -69.92 -34.75 73.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.255 -0.429 . . . . 10.0 110.793 -179.166 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.67 -32.32 67.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.48 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 481' ' ' GLN . . . . . 0.405 ' HG2' HD13 ' D' ' 457' ' ' LEU . 45.7 mt-30 -88.04 -7.42 57.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.748 0.309 . . . . 10.0 111.239 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -100.07 -48.36 4.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.574 -0.285 . . . . 10.0 111.028 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 40.5 p -95.36 -35.43 11.77 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.449 -0.342 . . . . 10.0 111.307 -179.325 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.24 27.88 15.65 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.65 -0.705 . . . . 10.0 111.382 179.904 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 4.4 t -142.9 118.66 10.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.732 -0.667 . . . . 10.0 109.85 -179.847 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 33.1 m -59.83 -31.27 47.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.986 -179.41 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -63.89 -47.67 79.72 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.787 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 53.9 mt -73.25 -39.2 55.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.901 -179.809 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 489' ' ' THR . . . . . 0.416 ' O ' HG13 ' D' ' 493' ' ' ILE . 95.5 m -60.94 -47.57 85.8 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.048 0.388 . . . . 10.0 112.048 -179.216 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 490' ' ' THR . . . . . 0.458 HG21 HD11 ' B' ' 8' ' ' LEU . 4.5 p -64.12 -42.42 96.85 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.791 -0.364 . . . . 10.0 110.856 -179.601 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -65.51 -34.61 78.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.136 -0.484 . . . . 10.0 109.932 179.154 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 492' ' ' ASN . . . . . 0.422 ' HB3' ' HB3' ' D' ' 497' ' ' ARG . 35.4 m-20 -62.1 -37.8 86.44 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 115.385 -0.825 . . . . 10.0 110.748 179.075 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 493' ' ' ILE . . . . . 0.455 HG12 HD12 ' D' ' 498' ' ' ILE . 71.2 mt -69.19 -39.73 79.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.34 0.59 . . . . 10.0 109.654 178.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.14 36.07 0.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.346 -0.843 . . . . 10.0 110.969 179.617 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -149.78 -65.53 0.21 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.537 179.605 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 145.17 39.47 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.744 -0.741 . . . . 10.0 113.074 179.528 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 497' ' ' ARG . . . . . 0.422 ' HB3' ' HB3' ' D' ' 492' ' ' ASN . 13.3 tpp180 -89.02 -35.55 16.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.233 0.54 . . . . 10.0 110.137 179.302 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 498' ' ' ILE . . . . . 0.455 HD12 HG12 ' D' ' 493' ' ' ILE . 52.9 mt -96.61 137.16 25.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.614 -0.721 . . . . 10.0 109.549 179.662 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 . . . . . 0 C--N 1.324 -0.537 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.274 -179.738 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 110.168 -0.308 . . . . 10.0 110.168 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -120.25 141.73 49.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.553 0.216 . . . . 10.0 110.933 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.1 pt -126.64 155.02 37.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.496 -0.557 . . . . 10.0 109.496 178.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.452 ' O ' ' HA ' ' A' ' 66' ' ' THR . 93.2 m-85 -115.2 122.41 45.95 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.731 0.3 . . . . 10.0 111.075 -179.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.8 t -110.05 125.1 67.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 178.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.9 tttp -111.26 130.52 55.63 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.883 0.373 . . . . 10.0 111.292 -178.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.36 173.12 8.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.627 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 mt -64.26 -24.0 67.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.221 0.534 . . . . 10.0 111.221 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.32 -3.61 46.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.96 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.93 -17.06 60.03 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.763 -0.732 . . . . 10.0 111.536 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.0 tttp -57.7 135.11 56.71 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 122.961 0.504 . . . . 10.0 110.568 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -127.41 125.92 41.5 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.711 0.291 . . . . 10.0 110.627 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.6 pt -116.21 148.18 19.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.997 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -104.28 125.56 50.64 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.422 -0.585 . . . . 10.0 109.422 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -115.76 135.06 54.39 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.953 0.406 . . . . 10.0 111.712 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -85.3 113.52 21.69 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.413 -0.812 . . . . 10.0 109.369 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.9 m -142.66 176.18 3.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.099 0.476 . . . . 10.0 111.425 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.514 ' O ' HD12 ' A' ' 56' ' ' LEU . 40.3 mm-40 -134.64 157.78 76.51 Favored Pre-proline 0 C--N 1.321 -0.669 0 N-CA-C 108.604 -0.887 . . . . 10.0 108.604 179.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -50.72 -36.33 50.87 Favored 'Trans proline' 0 CA--C 1.533 0.445 0 C-N-CA 122.324 2.016 . . . . 10.0 112.545 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.88 -6.52 47.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.75 -0.659 . . . . 10.0 112.482 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.53 139.83 45.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.788 0.328 . . . . 10.0 110.128 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.433 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -91.29 148.05 22.61 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.963 -179.388 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 51.5 mm -57.42 -38.86 65.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.989 0.423 . . . . 10.0 110.298 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 35.4 tt0 -62.87 -34.91 78.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.22 178.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.481 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 54.7 t30 -75.27 -38.94 60.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.205 -0.452 . . . . 10.0 109.793 179.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 22' ' ' THR . 96.6 t -63.18 -45.28 98.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.682 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 14.8 ptmt -66.53 -28.07 68.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.98 0.419 . . . . 10.0 110.443 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.08 -33.09 73.89 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.589 -0.523 . . . . 10.0 109.589 178.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 67.8 mttt -66.64 -41.55 88.12 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.291 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 31.2 mt -66.84 -32.16 56.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.375 0.607 . . . . 10.0 109.63 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -64.56 -34.71 78.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.321 -0.854 . . . . 10.0 110.74 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -88.74 -32.0 18.14 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.488 -0.323 . . . . 10.0 111.681 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -80.01 -47.93 14.14 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.394 0.516 . . . . 10.0 112.394 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -98.76 -21.41 16.39 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.909 0.337 . . . . 10.0 111.909 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.1 14.52 64.29 Favored Glycine 0 CA--C 1.517 0.172 0 C-N-CA 120.677 -0.773 . . . . 10.0 113.113 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.1 mt -87.79 120.9 71.05 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 122.847 -0.208 . . . . 10.0 110.772 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 32.2 Cg_exo -58.06 138.31 85.29 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.721 2.281 . . . . 10.0 112.535 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 29.8 Cg_exo -60.33 -23.16 73.67 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.898 2.398 . . . . 10.0 112.487 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -69.1 -19.53 64.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.951 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.474 ' O ' ' HA ' ' A' ' 71' ' ' LEU . 85.6 mt-30 -114.16 10.69 17.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.064 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -98.1 106.54 18.84 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.013 0.435 . . . . 10.0 111.532 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -109.53 103.74 12.67 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.8 mt -91.82 118.24 30.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.982 0.42 . . . . 10.0 111.407 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mp -115.04 133.49 61.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.719 -0.673 . . . . 10.0 110.339 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.501 ' HB3' HD21 ' A' ' 50' ' ' LEU . 63.8 t80 -134.88 121.46 20.62 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.581 -0.526 . . . . 10.0 109.581 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.97 33.43 19.78 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.616 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.25 -21.84 15.15 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.901 -0.666 . . . . 10.0 112.92 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -94.2 147.44 23.17 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.258 -0.275 . . . . 10.0 110.258 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -92.66 137.06 32.69 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.709 -0.478 . . . . 10.0 109.709 179.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.501 HD21 ' HB3' ' A' ' 45' ' ' PHE . 18.7 mt -88.89 144.66 26.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.479 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.419 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 40.2 mt-10 -91.22 151.76 20.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.004 -0.369 . . . . 10.0 110.004 179.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.9 -50.71 72.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.047 -0.524 . . . . 10.0 112.234 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.16 49.67 4.03 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 121.074 -0.584 . . . . 10.0 113.925 -178.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.422 ' HG3' ' OH ' ' A' ' 59' ' ' TYR . 21.9 mmt180 -138.82 156.9 46.95 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.724 -0.473 . . . . 10.0 109.724 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.526 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 45.4 p -98.06 171.73 8.07 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.919 -0.401 . . . . 10.0 109.919 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.514 HD12 ' O ' ' A' ' 18' ' ' GLU . 81.7 mt -70.05 -31.49 69.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.881 0.372 . . . . 10.0 110.35 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -21.67 60.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.367 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.526 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.7 OUTLIER -60.52 -30.91 70.04 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.947 179.693 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.466 ' CD2' HD22 ' A' ' 50' ' ' LEU . 74.8 m-85 -111.9 8.51 20.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.356 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 57.8 t30 57.81 43.14 22.25 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.406 -0.816 . . . . 10.0 111.645 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 76.4 mt -77.81 119.05 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.481 -0.563 . . . . 10.0 109.481 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -91.95 174.83 7.13 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.663 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -68.29 151.79 46.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.294 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 64.29 30.68 13.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.687 -0.688 . . . . 10.0 111.827 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.2 m -92.22 143.94 25.91 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.77 -0.456 . . . . 10.0 109.77 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 1.7 m -99.31 124.05 44.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.067 0.461 . . . . 10.0 111.482 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -110.9 142.55 42.82 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.222 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -98.66 124.82 43.71 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.765 0.317 . . . . 10.0 110.492 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.0 tp -106.13 108.78 20.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.141 0.496 . . . . 10.0 111.263 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.5 t -103.86 139.1 25.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.8 -0.637 . . . . 10.0 109.289 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.474 ' HA ' ' O ' ' A' ' 40' ' ' GLN . 55.1 mt -92.15 161.54 14.7 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.159 0.504 . . . . 10.0 111.212 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -125.68 89.01 2.96 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.028 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.24 108.35 20.49 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.785 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -123.69 123.78 41.29 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.71 26.65 29.06 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.662 -0.78 . . . . 10.0 111.233 -178.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.814 0 CA-C-O 118.869 -0.962 . . . . 10.0 111.007 -179.847 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ptt? . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 109.921 -0.4 . . . . 10.0 109.921 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -110.59 138.47 46.93 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.42 -0.512 . . . . 10.0 110.703 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 30.2 pt -121.23 168.35 13.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.903 -0.589 . . . . 10.0 109.944 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -124.89 118.63 26.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.199 0.523 . . . . 10.0 111.542 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 43.7 t -98.01 122.56 49.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.663 -0.699 . . . . 10.0 109.472 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -101.34 125.65 48.0 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.157 0.503 . . . . 10.0 111.006 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.44 157.58 16.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.508 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 47.9 mt -61.66 -18.17 58.43 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.003 0.371 . . . . 10.0 112.003 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.53 -4.42 59.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.814 0.34 . . . . 10.0 111.5 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.56 10.02 59.56 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.972 -0.632 . . . . 10.0 112.027 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 24.3 tttp -83.42 139.5 32.93 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.359 -0.237 . . . . 10.0 110.359 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -116.37 114.32 24.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.475 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 7.9 mt -103.18 130.67 53.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.526 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.4 m -98.42 127.2 44.25 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.823 -0.436 . . . . 10.0 109.823 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 33.2 mt -126.23 134.07 51.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.811 0.339 . . . . 10.0 111.302 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -95.02 109.42 21.45 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.785 -0.82 . . . . 10.0 108.785 178.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.449 HG12 ' NZ ' ' B' ' 29' ' ' LYS . 30.4 m -136.22 -179.93 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.035 -0.53 . . . . 10.0 111.301 -178.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -127.46 155.21 77.08 Favored Pre-proline 0 C--N 1.317 -0.809 0 N-CA-C 109.01 -0.737 . . . . 10.0 109.01 178.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -56.6 -23.87 50.94 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.49 2.127 . . . . 10.0 112.566 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -85.47 6.04 28.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.036 -0.529 . . . . 10.0 112.009 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -83.19 153.22 24.86 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 120.863 0.363 . . . . 10.0 110.402 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.432 ' O ' HG23 ' B' ' 26' ' ' VAL . 4.2 p -94.86 151.71 18.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.348 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 40.8 mm -59.43 -36.64 65.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.226 0.536 . . . . 10.0 110.168 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -42.7 99.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.617 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -68.52 -38.25 80.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.841 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.433 ' O ' HG13 ' B' ' 30' ' ' ILE . 98.3 t -59.44 -44.94 93.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.888 0.375 . . . . 10.0 110.25 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -67.82 -31.16 70.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.792 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.77 -34.12 76.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.146 0.498 . . . . 10.0 109.791 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.449 ' NZ ' HG12 ' B' ' 17' ' ' VAL . 98.1 mttt -69.85 -32.27 70.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.004 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.433 HG13 ' O ' ' B' ' 26' ' ' VAL . 56.9 mt -69.51 -31.07 47.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -71.84 -24.42 61.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.916 -0.584 . . . . 10.0 109.613 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -77.65 -31.23 52.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.545 -0.752 . . . . 10.0 110.846 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 69.2 mttt -95.58 -45.13 7.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.449 -0.341 . . . . 10.0 111.804 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -96.16 -51.4 4.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.793 0.33 . . . . 10.0 111.534 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.61 -6.49 26.2 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.584 -0.817 . . . . 10.0 112.395 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 26.5 mt -63.95 128.19 92.66 Favored Pre-proline 0 C--N 1.327 -0.394 0 N-CA-C 110.689 -0.115 . . . . 10.0 110.689 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -61.59 131.38 35.49 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.5 2.133 . . . . 10.0 111.797 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.16 -22.31 55.84 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.011 2.474 . . . . 10.0 112.975 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -66.79 -33.42 75.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.3 0.571 . . . . 10.0 110.814 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -98.07 6.77 47.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.549 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -103.22 109.64 21.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.428 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -104.45 107.65 18.69 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.179 -0.674 . . . . 10.0 109.179 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.476 ' HB3' HD12 ' B' ' 50' ' ' LEU . 18.1 mt -84.79 119.85 25.77 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.078 0.466 . . . . 10.0 110.911 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -115.37 142.68 27.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.512 -0.767 . . . . 10.0 109.432 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -132.43 110.79 10.77 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.044 -0.525 . . . . 10.0 109.718 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.0 27.57 16.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.732 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.17 -12.74 62.02 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.832 -0.699 . . . . 10.0 113.38 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.5 143.32 28.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 117.011 0.406 . . . . 10.0 109.982 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.455 HE21 ' HB3' ' B' ' 49' ' ' GLN . 1.1 tt0 -86.26 135.54 33.51 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.32 -0.252 . . . . 10.0 110.32 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.476 HD12 ' HB3' ' B' ' 43' ' ' LEU . 27.3 mt -91.27 120.11 31.89 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.99 -0.374 . . . . 10.0 109.99 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.477 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 28.0 mt-10 -68.64 136.96 53.78 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 179.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -54.36 -42.44 70.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.987 -0.552 . . . . 10.0 112.041 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.05 53.89 4.24 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.817 -0.706 . . . . 10.0 113.21 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.477 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 31.2 mmt180 -141.4 174.04 10.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.778 0.289 . . . . 10.0 110.293 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 41.1 p -115.15 172.69 6.92 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.551 -0.537 . . . . 10.0 109.551 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 84.1 mt -69.8 -30.6 68.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.985 0.422 . . . . 10.0 110.477 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.51 -20.77 64.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.909 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -70.37 -32.74 70.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.765 0.317 . . . . 10.0 111.713 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -109.59 12.24 24.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.471 -0.331 . . . . 10.0 110.771 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 60.68 31.82 20.2 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.627 -0.715 . . . . 10.0 111.592 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 66.0 mt -72.15 112.98 8.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.06 0.457 . . . . 10.0 109.93 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -97.82 -167.48 1.53 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.62 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.5 155.78 33.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.814 0.34 . . . . 10.0 110.957 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 59.26 17.99 6.23 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.595 -0.729 . . . . 10.0 112.833 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 10.6 m -78.89 148.17 32.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.597 0.237 . . . . 10.0 110.467 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 18.0 m -88.68 119.13 28.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.131 0.491 . . . . 10.0 111.358 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -102.08 124.47 47.74 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.279 -0.638 . . . . 10.0 109.279 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.448 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 29.5 m80 -89.04 124.5 34.34 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.574 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 36.9 tp -100.12 107.37 19.24 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.873 0.368 . . . . 10.0 110.433 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.543 HG13 ' HB ' ' D' ' 490' ' ' THR . 70.6 t -101.13 140.45 19.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.517 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 12.2 mt -100.28 165.62 11.38 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.863 -0.421 . . . . 10.0 109.863 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.554 ' HG3' ' OD1' ' D' ' 491' ' ' ASP . 14.6 ttt180 -152.82 130.28 11.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.714 -0.221 . . . . 10.0 110.691 -179.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -139.96 94.86 2.81 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.866 0.365 . . . . 10.0 110.584 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -93.91 105.46 17.47 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.736 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.45 27.33 5.02 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.826 -0.702 . . . . 10.0 112.16 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.986 -0.897 . . . . 10.0 111.137 -179.898 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 120.357 0.122 . . . . 10.0 110.857 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 62.44 15.52 7.85 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.096 0.558 . . . . 10.0 111.963 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -51.39 44.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.059 0.457 . . . . 10.0 111.124 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -69.0 -34.18 74.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.805 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 97.7 mt -63.87 -46.58 84.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.543 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -63.53 -42.78 98.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.822 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.23 -40.39 93.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.547 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 74.3 mtm -72.99 -41.17 64.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.817 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.61 -45.09 91.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.945 -0.57 . . . . 10.0 111.221 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -58.73 -36.14 73.83 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.605 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 463' ' ' GLN . . . . . 0.511 ' O ' ' HG2' ' D' ' 467' ' ' MET . 24.5 tp60 -61.59 -42.08 98.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.196 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 74.6 mt -72.44 -32.53 42.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.149 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 38.5 tp60 -61.24 -30.6 70.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.202 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -76.32 -29.68 57.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.938 -0.573 . . . . 10.0 110.287 178.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . 0.511 ' HG2' ' O ' ' D' ' 463' ' ' GLN . 31.1 mmm -76.36 -44.11 37.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.227 0.537 . . . . 10.0 110.202 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 468' ' ' PHE . . . . . 0.452 ' O ' HG12 ' D' ' 471' ' ' VAL . 5.1 m-85 -116.91 92.55 39.12 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.61 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -78.26 33.48 0.47 Allowed 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.776 2.317 . . . . 10.0 112.369 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -152.71 29.95 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.951 -179.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 471' ' ' VAL . . . . . 0.452 HG12 ' O ' ' D' ' 468' ' ' PHE . 12.8 p -125.43 133.71 25.12 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.384 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 472' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' D' ' 471' ' ' VAL . 53.1 Cg_exo -58.3 119.36 6.57 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.635 2.223 . . . . 10.0 112.237 179.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -53.05 -40.41 63.96 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.449 -0.796 . . . . 10.0 112.681 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 44.9 p-80 -68.62 -27.56 66.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.587 0.232 . . . . 10.0 111.601 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 475' ' ' LEU . . . . . 0.441 ' O ' ' HB3' ' D' ' 478' ' ' GLN . 24.1 mt -77.67 -30.52 52.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.896 0.379 . . . . 10.0 110.0 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 476' ' ' VAL . . . . . 0.412 HG23 ' O ' ' D' ' 472' ' ' PRO . 44.9 t -66.99 -46.75 84.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.461 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . 0.415 ' O ' ' HG3' ' D' ' 481' ' ' GLN . 23.8 mt -63.67 -24.62 67.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.792 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 478' ' ' GLN . . . . . 0.441 ' HB3' ' O ' ' D' ' 475' ' ' LEU . 1.9 tt0 -66.44 -55.74 14.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.985 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -67.17 -29.47 69.17 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.537 -0.302 . . . . 10.0 110.605 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 480' ' ' LEU . . . . . 0.477 ' HA ' HD13 ' D' ' 480' ' ' LEU . 0.2 OUTLIER -61.05 -24.69 66.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.299 179.702 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 481' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' D' ' 477' ' ' LEU . 72.8 mt-30 -89.64 -17.38 28.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.036 0.446 . . . . 10.0 110.533 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 482' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' D' ' 482' ' ' LEU . 3.5 mm? -92.31 -59.14 2.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.846 -0.616 . . . . 10.0 111.1 -179.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 40.8 p -82.18 -42.93 18.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.732 0.301 . . . . 10.0 110.781 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 15.4 mtt180 63.25 28.32 15.75 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.615 -0.72 . . . . 10.0 110.509 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.44 116.16 6.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.434 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 28.1 m -59.26 -23.51 25.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.641 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -69.1 -23.73 64.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.045 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 9.2 mt -108.48 -33.04 2.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.039 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 489' ' ' THR . . . . . 0.476 HG21 HD22 ' D' ' 480' ' ' LEU . 41.8 m -59.64 -57.81 11.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.494 -0.321 . . . . 10.0 111.509 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 490' ' ' THR . . . . . 0.543 ' HB ' HG13 ' B' ' 70' ' ' VAL . 0.2 OUTLIER -61.21 -29.38 69.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.11 0.481 . . . . 10.0 110.729 -179.828 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 491' ' ' ASP . . . . . 0.554 ' OD1' ' HG3' ' B' ' 72' ' ' ARG . 21.2 t0 -68.77 -49.09 61.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.526 -0.761 . . . . 10.0 109.572 178.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -54.21 -36.67 63.73 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.575 -0.739 . . . . 10.0 111.135 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 67.7 mt -65.92 -46.36 88.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.444 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.22 -36.09 83.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.36 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 495' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' D' ' 491' ' ' ASP . 18.9 mm-40 -67.14 -43.04 83.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.937 0.399 . . . . 10.0 110.817 179.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 124.77 25.14 1.6 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.841 -0.695 . . . . 10.0 112.8 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -82.69 -22.94 34.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.147 0.499 . . . . 10.0 110.09 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 1.5 mp -101.87 142.22 16.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.523 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -78.59 131.17 36.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.948 0.404 . . . . 10.0 111.153 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 19.8 m -84.82 163.95 44.18 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.556 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -67.77 78.89 0.52 Allowed 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.812 2.342 . . . . 10.0 112.723 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -102.95 131.68 21.93 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.128 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -66.22 149.78 85.21 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.488 2.125 . . . . 10.0 112.269 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 4.8 t . . . . . 0 C--O 1.254 1.331 0 CA-C-O 118.145 -0.931 . . . . 10.0 109.912 -179.819 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.479 0.983 0 N-CA-C 110.01 -0.367 . . . . 10.0 110.01 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -115.45 137.72 51.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.876 0.369 . . . . 10.0 111.343 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.9 pt -124.8 161.07 29.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.958 -0.564 . . . . 10.0 109.826 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -113.88 117.24 30.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.807 0.337 . . . . 10.0 110.658 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 42.1 t -102.41 119.47 50.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.349 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -100.47 131.02 46.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.946 0.403 . . . . 10.0 110.584 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.4 p -99.86 167.47 10.5 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.412 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.83 -16.6 63.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.882 0.373 . . . . 10.0 111.349 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.27 -16.88 38.65 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.134 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.05 -0.82 41.09 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.088 -0.577 . . . . 10.0 112.71 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -79.54 135.29 36.58 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.361 0.264 . . . . 10.0 110.455 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -107.67 123.26 48.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.43 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.1 mt -108.82 137.62 39.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.333 -178.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.43 130.85 47.74 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.704 178.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.0 mt -128.52 138.94 52.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.282 0.563 . . . . 10.0 112.082 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -89.37 100.73 13.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.065 -0.971 . . . . 10.0 108.988 178.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.0 m -132.02 176.5 8.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.02 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.571 ' O ' HD12 ' A' ' 56' ' ' LEU . 7.8 mm-40 -134.52 156.97 78.34 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 108.676 -0.861 . . . . 10.0 108.676 179.144 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.48 -35.86 77.71 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.621 2.214 . . . . 10.0 113.19 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.23 5.47 34.14 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.421 0.526 . . . . 10.0 112.421 -179.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -74.8 141.58 44.32 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 110.016 -0.364 . . . . 10.0 110.016 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.418 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -78.47 142.6 37.37 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.122 -179.362 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.1 mm -56.51 -42.3 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.771 0.319 . . . . 10.0 110.854 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -60.07 -40.59 90.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.438 . . . . 10.0 110.604 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.55 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 65.0 t30 -64.11 -39.28 93.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.907 -0.588 . . . . 10.0 109.848 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 22' ' ' THR . 76.0 t -62.4 -41.97 93.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.018 -0.537 . . . . 10.0 109.661 178.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -61.42 -38.25 86.45 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.034 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.38 -32.62 74.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.627 -0.715 . . . . 10.0 110.694 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.55 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 51.2 mttt -71.18 -34.7 71.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 10.0 109.956 179.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 93.2 mt -66.14 -43.85 91.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.749 179.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -66.18 -30.0 70.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.312 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -67.7 -39.14 84.42 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -86.75 -45.63 10.75 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.0 0.37 . . . . 10.0 112.0 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -87.48 -62.89 1.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.763 0.316 . . . . 10.0 111.638 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.15 -19.76 5.7 Favored Glycine 0 C--O 1.23 -0.117 0 C-N-CA 120.897 -0.668 . . . . 10.0 112.116 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.3 mt -64.78 124.69 87.1 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.751 -0.224 . . . . 10.0 110.591 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.454 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 37.3 Cg_exo -56.79 146.11 79.65 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.795 2.33 . . . . 10.0 112.255 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 31.5 Cg_exo -59.04 -20.74 55.26 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.685 2.257 . . . . 10.0 112.298 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.52 -35.23 79.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.027 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -98.73 7.42 46.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.819 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -96.27 102.52 14.32 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.219 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -103.86 100.7 10.49 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.82 -0.437 . . . . 10.0 109.82 178.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.5 mt -88.49 117.28 27.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.887 -0.597 . . . . 10.0 111.001 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mp -116.09 130.5 70.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.509 -0.769 . . . . 10.0 109.6 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -118.79 107.68 13.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.527 -0.306 . . . . 10.0 110.244 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.15 27.18 16.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.653 -0.703 . . . . 10.0 111.537 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.76 -26.85 21.98 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.927 -0.654 . . . . 10.0 112.612 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -86.47 128.79 35.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.543 0.211 . . . . 10.0 110.534 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -77.99 136.87 38.04 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.748 -0.464 . . . . 10.0 109.748 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.4 mt -88.37 130.48 35.14 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.979 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.514 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 83.9 mt-10 -88.87 136.58 32.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.117 -0.492 . . . . 10.0 109.719 179.02 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -60.96 -25.25 66.7 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.118 -0.492 . . . . 10.0 112.271 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.51 14.83 49.37 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.86 -0.686 . . . . 10.0 113.365 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.514 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 14.5 mmt180 -123.36 177.33 5.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.191 0.495 . . . . 10.0 110.334 179.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.467 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 13.4 p -116.08 173.62 6.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.342 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 18' ' ' GLU . 95.9 mt -65.59 -36.44 83.76 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.859 0.361 . . . . 10.0 111.033 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.7 p -65.66 -25.65 67.44 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.932 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.467 ' HB2' ' O ' ' A' ' 55' ' ' THR . 3.4 m-20 -61.74 -30.3 70.68 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.268 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -110.65 14.24 22.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.367 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 60.95 28.96 18.71 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.686 -0.688 . . . . 10.0 111.73 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 77.5 mt -76.8 114.35 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.022 0.439 . . . . 10.0 110.237 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -108.79 -160.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.557 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -77.11 154.75 32.95 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.608 0.242 . . . . 10.0 110.363 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 67.0 15.59 10.18 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.826 -0.624 . . . . 10.0 112.01 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.8 m -81.73 150.63 27.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.576 0.227 . . . . 10.0 110.433 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 35.7 m -105.15 120.18 40.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.155 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.7 mp -106.83 129.17 54.72 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.388 -0.597 . . . . 10.0 109.388 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -94.13 123.8 37.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.689 0.28 . . . . 10.0 110.457 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.5 tp -105.9 109.54 21.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.236 0.541 . . . . 10.0 111.17 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 68.8 t -100.26 138.73 23.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.621 -0.718 . . . . 10.0 109.731 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 67.9 mt -96.2 167.93 10.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.979 0.419 . . . . 10.0 110.891 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -139.99 103.52 4.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.022 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.8 mt -107.87 132.6 53.27 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.978 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -129.66 116.36 18.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.778 -0.647 . . . . 10.0 109.846 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.57 34.86 3.72 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.778 -0.725 . . . . 10.0 111.509 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.153 -1.359 . . . . 10.0 110.94 -179.881 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.487 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 25.6 ptt? . . . . . 0 N--CA 1.479 0.979 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -97.76 129.91 44.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.899 0.381 . . . . 10.0 111.414 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 20.4 pt -127.74 161.92 34.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.966 -0.561 . . . . 10.0 109.702 178.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -118.83 128.87 54.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.957 0.408 . . . . 10.0 111.035 -179.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 39.9 t -110.84 125.92 68.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.178 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 27.2 mttt -98.29 135.03 40.49 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.587 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.505 HG22 HD23 ' B' ' 69' ' ' LEU . 39.1 p -105.07 170.57 7.79 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.429 -0.35 . . . . 10.0 110.262 179.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 92.5 mt -74.21 -10.93 60.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.255 -0.43 . . . . 10.0 111.742 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -93.8 -12.0 30.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.887 0.375 . . . . 10.0 111.001 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.98 -9.2 46.67 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.969 -0.634 . . . . 10.0 112.532 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -73.87 141.35 46.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.721 0.296 . . . . 10.0 110.519 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.6 m -111.86 123.28 49.9 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.1 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 24.3 mt -100.07 135.01 37.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.557 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p -99.45 125.46 45.18 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.945 -0.391 . . . . 10.0 109.945 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 74.7 mt -126.31 134.34 51.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.104 0.478 . . . . 10.0 111.08 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -107.38 89.04 2.88 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.628 -0.715 . . . . 10.0 109.218 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.487 ' O ' ' HG2' ' B' ' 1' ' ' MET . 10.7 m -123.19 164.77 20.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.65 -178.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -106.14 155.89 37.74 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.178 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.44 -28.87 46.29 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 122.798 2.332 . . . . 10.0 113.298 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.74 -4.7 47.63 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.463 0.542 . . . . 10.0 112.463 -179.001 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -72.04 150.35 44.06 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.245 0.545 . . . . 10.0 111.064 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.436 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.2 OUTLIER -96.2 147.85 23.33 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.727 -0.669 . . . . 10.0 110.625 -179.477 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.459 HG12 ' O ' ' B' ' 54' ' ' ARG . 51.9 mm -55.56 -45.25 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 116.603 -0.271 . . . . 10.0 111.501 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -59.31 -42.87 92.36 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.896 0.379 . . . . 10.0 110.656 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.449 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 61.8 t30 -63.86 -37.52 87.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.282 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.436 HG23 ' O ' ' B' ' 22' ' ' THR . 83.1 t -64.3 -44.72 97.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.199 179.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt -62.66 -37.16 85.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.578 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.43 -37.2 80.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.596 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 36.0 mttt -69.38 -38.03 77.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.11 179.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 78.0 mt -66.16 -34.76 72.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 109.3 -0.629 . . . . 10.0 109.3 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.4 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 37.2 tt0 -66.73 -31.05 71.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.285 -0.87 . . . . 10.0 109.826 178.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -76.31 -30.33 57.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.844 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -84.28 -67.03 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.879 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -77.32 -37.11 53.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.425 . . . . 10.0 112.1 -178.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 95.26 36.08 5.54 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.43 -0.891 . . . . 10.0 111.738 -178.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 53.1 mt -111.21 120.23 43.58 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 110.059 -0.349 . . . . 10.0 110.059 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 51.3 Cg_exo -53.54 140.54 64.67 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.828 2.352 . . . . 10.0 112.358 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 51.5 Cg_exo -55.61 -21.57 31.88 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 123.13 2.553 . . . . 10.0 113.163 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.35 -36.9 79.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.656 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -90.76 1.06 57.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.989 -178.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -95.21 110.67 22.61 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.363 -0.381 . . . . 10.0 110.786 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.438 HH12 ' HG2' ' D' ' 495' ' ' GLU . 0.0 OUTLIER -116.45 91.07 3.48 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 178.826 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 21.1 mt -78.63 127.85 32.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.952 -0.567 . . . . 10.0 111.52 -178.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mp -122.7 139.28 50.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.475 -0.784 . . . . 10.0 110.013 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.464 ' HB3' HD21 ' B' ' 50' ' ' LEU . 51.8 t80 -134.54 122.3 22.2 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 178.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.21 20.88 12.54 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.482 0.489 . . . . 10.0 111.544 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.3 2.25 64.02 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.846 -0.692 . . . . 10.0 113.07 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -118.85 145.8 45.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.146 0.473 . . . . 10.0 110.503 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.88 143.4 39.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.997 0.427 . . . . 10.0 111.28 -179.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.464 HD21 ' HB3' ' B' ' 45' ' ' PHE . 46.6 mt -93.36 119.21 32.21 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.396 -0.82 . . . . 10.0 109.202 178.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.528 ' HB2' ' HG2' ' B' ' 54' ' ' ARG . 2.2 mt-10 -74.34 135.68 42.5 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.792 -0.447 . . . . 10.0 109.792 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.36 -38.97 60.13 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.245 0.832 . . . . 10.0 113.245 -178.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.15 22.07 7.49 Favored Glycine 0 CA--C 1.521 0.41 0 C-N-CA 120.879 -0.677 . . . . 10.0 114.652 -178.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.528 ' HG2' ' HB2' ' B' ' 51' ' ' GLU . 23.2 mmt180 -117.02 167.22 11.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 117.832 0.816 . . . . 10.0 110.372 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.56 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 32.0 p -107.02 173.77 6.18 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.051 179.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 79.3 mt -67.39 -35.68 79.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.129 0.49 . . . . 10.0 110.33 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 13.7 m -70.56 -19.63 62.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.689 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.56 ' HB2' ' O ' ' B' ' 55' ' ' THR . 0.6 OUTLIER -61.52 -31.57 71.58 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.573 179.725 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -110.05 11.76 23.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.404 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 58.23 39.11 26.11 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.371 -0.831 . . . . 10.0 111.622 179.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 70.9 mt -77.47 127.19 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.582 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -108.09 -174.21 2.47 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.719 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -74.49 155.11 38.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.747 0.308 . . . . 10.0 110.77 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 64.72 16.32 10.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.427 -0.806 . . . . 10.0 112.149 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 23.5 m -81.68 153.24 26.71 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.104 -0.332 . . . . 10.0 110.104 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.8 m -102.04 123.21 45.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.787 0.327 . . . . 10.0 111.251 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 mp -109.61 137.22 47.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.079 -0.51 . . . . 10.0 109.655 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.54 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 51.4 m80 -95.72 125.5 40.34 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.793 0.33 . . . . 10.0 110.992 -179.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.505 HD23 HG22 ' B' ' 7' ' ' THR . 68.3 tp -107.35 103.59 12.99 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.878 0.371 . . . . 10.0 110.205 179.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 28.3 t -93.63 136.16 26.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.064 -0.517 . . . . 10.0 110.207 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.456 ' O ' ' HB2' ' D' ' 491' ' ' ASP . 75.2 mt -93.78 146.81 23.6 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 179.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.525 ' HG3' ' OD2' ' D' ' 491' ' ' ASP . 48.6 ttt-85 -123.3 117.73 25.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.969 0.414 . . . . 10.0 110.539 -179.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 8.0 mp -115.7 94.6 4.76 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.715 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -118.58 -38.74 3.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.656 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 102.27 -25.13 28.78 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.921 -0.657 . . . . 10.0 111.696 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.075 -1.403 . . . . 10.0 110.916 179.689 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 20.5 m . . . . . 0 N--CA 1.476 0.84 0 CA-C-O 120.209 0.052 . . . . 10.0 111.037 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 63.6 20.92 12.49 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.005 0.431 . . . . 10.0 111.251 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 1.1 m -66.78 -43.25 84.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.457 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -65.01 -36.82 85.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.372 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 51.7 mt -69.19 -43.38 74.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.961 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -65.21 -41.85 94.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.417 . . . . 10.0 110.528 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -65.14 -40.79 94.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.565 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 3.4 mtm -64.33 -43.35 94.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.755 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -59.35 -36.95 76.67 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.222 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -59.57 -36.68 76.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.698 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 463' ' ' GLN . . . . . 0.513 ' O ' ' HG2' ' D' ' 467' ' ' MET . 30.2 tp60 -64.69 -39.3 93.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.385 -0.37 . . . . 10.0 110.096 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 55.5 mt -66.25 -37.92 80.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.453 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -61.82 -26.89 68.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.628 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -83.72 -14.42 51.68 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.981 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . 0.54 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 74.4 mmm -96.59 -42.0 8.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.351 0.596 . . . . 10.0 109.924 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 468' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -122.99 91.32 49.93 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.843 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -81.35 30.69 0.52 Allowed 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.799 2.333 . . . . 10.0 111.735 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -133.57 14.12 4.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.168 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 471' ' ' VAL . . . . . . . . . . . . . 7.9 p -123.83 129.29 24.85 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.176 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 472' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -57.15 126.9 23.62 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.639 2.226 . . . . 10.0 112.09 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -55.29 -36.89 66.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.546 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -66.44 -22.14 66.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.487 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 21.3 mt -86.38 -30.37 22.19 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 45.8 t -68.42 -47.28 78.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.464 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' D' ' 481' ' ' GLN . 78.3 mt -60.77 -26.97 67.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.641 -0.709 . . . . 10.0 110.939 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -63.43 -57.9 8.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.476 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -70.41 -29.39 66.0 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.654 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -26.02 66.27 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.839 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 481' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' D' ' 477' ' ' LEU . 77.5 mt-30 -85.29 -17.35 37.16 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.792 0.329 . . . . 10.0 110.586 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -94.31 -61.18 1.57 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.06 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 5.2 p -76.94 -39.33 51.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.46 -0.336 . . . . 10.0 111.024 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 57.14 38.1 28.83 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.779 -0.646 . . . . 10.0 111.404 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 4.0 t -158.63 109.16 2.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.063 -0.517 . . . . 10.0 109.759 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 10.0 m -53.25 -31.4 18.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 111.831 0.308 . . . . 10.0 111.831 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -63.65 -26.32 68.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.428 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 21.6 mt -104.85 -34.67 3.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.061 0.458 . . . . 10.0 110.455 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 489' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' D' ' 492' ' ' ASN . 15.9 m -65.77 -50.44 64.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.569 -0.741 . . . . 10.0 112.167 -178.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 2.1 m -61.73 -38.69 88.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.049 0.452 . . . . 10.0 110.577 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 491' ' ' ASP . . . . . 0.525 ' OD2' ' HG3' ' B' ' 72' ' ' ARG . 35.0 t70 -72.39 -29.09 63.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.194 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 492' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' D' ' 489' ' ' THR . 4.5 m-20 -56.84 -27.91 60.87 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.846 178.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 10.9 mt -81.99 -25.51 9.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.239 0.542 . . . . 10.0 110.331 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 19.7 mt -89.56 -1.58 58.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.108 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 495' ' ' GLU . . . . . 0.438 ' HG2' HH12 ' B' ' 42' ' ' ARG . 15.8 mm-40 -121.36 -156.29 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.248 -0.887 . . . . 10.0 109.265 179.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 496' ' ' GLY . . . . . 0.424 ' H ' ' HB3' ' D' ' 495' ' ' GLU . . . -104.83 94.23 1.0 Allowed Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.253 -0.975 . . . . 10.0 111.864 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 2.1 tpp85 -148.2 -66.06 0.25 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.728 0.299 . . . . 10.0 110.844 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 2.6 mt -97.77 139.71 19.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.697 -0.483 . . . . 10.0 109.697 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -76.27 150.87 36.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.797 0.332 . . . . 10.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 500' ' ' VAL . . . . . 0.409 ' HA ' ' HD3' ' D' ' 501' ' ' PRO . 16.1 m -85.74 152.42 56.85 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.79 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 501' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' D' ' 500' ' ' VAL . 15.0 Cg_exo -68.34 90.11 0.39 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.635 2.223 . . . . 10.0 112.415 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -97.98 134.5 22.12 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.938 -0.574 . . . . 10.0 109.845 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -61.88 154.25 62.63 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.648 2.232 . . . . 10.0 112.604 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 8.0 t . . . . . 0 C--O 1.253 1.25 0 CA-C-O 119.012 -0.518 . . . . 10.0 110.533 -179.799 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.478 ' HB2' ' HB3' ' A' ' 63' ' ' LYS . 23.6 ptt? . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.698 0.285 . . . . 10.0 110.413 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -107.22 134.05 50.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.512 -0.313 . . . . 10.0 110.671 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.0 pt -119.28 156.89 21.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.067 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -116.3 117.93 31.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.932 0.396 . . . . 10.0 110.856 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.8 t -100.77 119.12 48.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.235 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 41.8 mmtt -97.68 117.58 32.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.992 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.81 161.37 19.96 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 98.1 mt -61.51 -19.75 62.43 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.921 0.391 . . . . 10.0 111.556 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.27 -10.92 58.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.108 0.48 . . . . 10.0 110.912 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.14 -10.72 55.14 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.994 -0.622 . . . . 10.0 112.075 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.86 134.03 56.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.909 0.385 . . . . 10.0 111.274 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m -111.56 111.2 22.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.729 -0.668 . . . . 10.0 110.003 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.9 mt -101.75 131.03 50.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.914 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 m -97.19 123.32 40.93 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.658 -0.497 . . . . 10.0 109.658 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.7 mt -122.58 142.88 50.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.018 0.437 . . . . 10.0 111.606 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -93.48 113.01 25.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.547 -0.751 . . . . 10.0 109.348 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.45 ' O ' ' HG2' ' A' ' 1' ' ' MET . 19.7 m -140.54 159.48 24.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.913 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -112.74 153.75 44.99 Favored Pre-proline 0 C--N 1.315 -0.931 0 N-CA-C 108.588 -0.893 . . . . 10.0 108.588 178.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.92 -28.81 50.81 Favored 'Trans proline' 0 CA--C 1.53 0.287 0 C-N-CA 122.139 1.892 . . . . 10.0 113.101 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 p -81.13 -0.13 38.78 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -78.44 145.53 35.0 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 120.86 0.362 . . . . 10.0 110.502 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.423 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -90.83 148.0 22.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.839 -179.807 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.7 mm -57.31 -36.16 51.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.971 0.415 . . . . 10.0 110.577 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -59.89 -39.27 84.77 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.386 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -73.21 -35.93 66.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.046 -0.525 . . . . 10.0 109.846 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 22' ' ' THR . 85.2 t -61.33 -44.59 98.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.956 -0.565 . . . . 10.0 109.717 178.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -65.62 -31.18 72.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.384 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.92 -36.54 82.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.211 0.529 . . . . 10.0 109.86 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.34 -33.97 76.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.013 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.5 mt -69.54 -33.77 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.784 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -68.24 -30.56 69.64 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.355 0.598 . . . . 10.0 109.814 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -75.6 -35.21 60.59 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.725 -0.67 . . . . 10.0 110.284 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -76.49 -61.26 2.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.694 -0.685 . . . . 10.0 111.77 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -85.37 -68.41 0.73 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.812 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 139.31 -18.18 3.09 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.753 -0.737 . . . . 10.0 111.642 -179.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.4 mt -61.87 125.91 86.03 Favored Pre-proline 0 C--N 1.326 -0.423 0 C-N-CA 122.167 0.187 . . . . 10.0 110.547 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.18 144.71 99.28 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.573 2.182 . . . . 10.0 112.039 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.09 -18.49 51.36 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.884 2.389 . . . . 10.0 112.916 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.17 -29.1 67.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.561 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -101.88 1.1 36.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.607 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -91.58 108.05 19.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.069 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -112.2 96.94 6.31 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.886 0.374 . . . . 10.0 110.07 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.4 mt -83.53 123.72 30.03 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.789 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 93.4 mt -119.8 127.44 75.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.216 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -118.16 108.99 15.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.442 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.61 30.54 20.17 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.725 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.71 -13.46 65.25 Favored Glycine 0 N--CA 1.455 -0.098 0 C-N-CA 120.917 -0.659 . . . . 10.0 112.658 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -94.16 119.0 32.37 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.608 -0.145 . . . . 10.0 110.608 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -75.73 124.52 27.41 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.26 -0.644 . . . . 10.0 109.26 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.4 mt -76.76 129.5 36.38 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.319 -0.401 . . . . 10.0 111.515 -178.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.476 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 24.2 mt-10 -84.78 154.12 22.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.989 -0.551 . . . . 10.0 109.718 178.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.99 -48.28 81.04 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.782 0.66 . . . . 10.0 112.782 -178.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.01 46.6 3.69 Favored Glycine 0 CA--C 1.516 0.127 0 C-N-CA 120.677 -0.773 . . . . 10.0 114.149 -178.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.476 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 20.2 mmt180 -135.6 163.12 30.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 117.031 0.415 . . . . 10.0 110.068 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.9 p -105.34 166.77 10.19 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.01 -0.367 . . . . 10.0 110.01 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.0 mt -66.21 -31.89 72.99 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.274 0.559 . . . . 10.0 110.147 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.83 -23.51 64.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.627 -0.715 . . . . 10.0 111.572 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -64.35 -30.98 72.01 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.827 0.346 . . . . 10.0 111.221 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -107.29 10.72 29.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.037 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.7 t30 63.38 30.6 15.46 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.682 -0.69 . . . . 10.0 111.691 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.8 mt -76.23 123.47 32.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.775 -0.454 . . . . 10.0 109.775 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -122.57 -167.97 1.66 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.787 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.478 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 5.6 pttt -65.63 151.77 45.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.473 178.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 64.49 28.79 13.45 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.579 0.55 . . . . 10.0 111.792 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.5 m -103.35 132.49 49.57 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.897 0.379 . . . . 10.0 110.445 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -98.36 134.19 41.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.862 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 mp -120.96 148.08 44.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.181 -0.463 . . . . 10.0 109.829 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -98.24 129.37 44.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.819 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.9 tp -104.23 99.69 9.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.068 -0.514 . . . . 10.0 110.027 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 42.1 t -93.75 136.69 24.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.309 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.3 mt -103.99 150.89 23.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.576 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 28.6 ttt180 -130.7 139.06 50.29 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.598 0.237 . . . . 10.0 110.902 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 46.1 mt -107.95 179.48 4.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.517 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -114.76 -52.48 2.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.795 0.331 . . . . 10.0 111.001 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -162.4 66.91 0.24 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.961 -0.638 . . . . 10.0 111.865 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.117 0 CA-C-O 117.948 -1.473 . . . . 10.0 110.942 179.92 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.46 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 26.9 ptt? . . . . . 0 N--CA 1.482 1.165 0 N-CA-C 109.83 -0.433 . . . . 10.0 109.83 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -90.81 133.13 35.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.995 0.426 . . . . 10.0 111.502 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 13.9 pt -125.03 162.1 27.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.648 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.413 ' O ' ' HA ' ' B' ' 66' ' ' THR . 86.3 m-85 -119.71 126.79 51.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.557 -0.292 . . . . 10.0 110.519 -179.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.414 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 42.5 t -110.08 125.95 67.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.654 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -93.73 147.71 22.79 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.848 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 35.9 p -127.97 162.09 27.6 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.826 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 61.3 mt -64.91 -21.59 66.85 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.121 0.486 . . . . 10.0 111.046 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.48 -4.57 58.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.939 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.89 11.77 83.47 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 121.087 -0.578 . . . . 10.0 112.037 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -91.64 102.86 15.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.811 0.339 . . . . 10.0 110.634 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.1 m -74.0 122.76 23.12 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.282 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.414 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 42.3 mt -100.98 137.19 29.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.278 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.44 136.01 44.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.497 -0.319 . . . . 10.0 110.291 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 42.1 mt -142.34 143.37 32.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.099 0.476 . . . . 10.0 111.254 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -104.53 103.0 12.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.391 -0.822 . . . . 10.0 108.911 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.46 ' O ' ' HG2' ' B' ' 1' ' ' MET . 26.9 m -133.68 174.78 12.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.514 -0.312 . . . . 10.0 110.363 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.49 ' O ' HD12 ' B' ' 56' ' ' LEU . 5.6 mm-40 -126.6 157.17 71.83 Favored Pre-proline 0 C--N 1.318 -0.764 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 179.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.06 -17.5 31.71 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.643 2.229 . . . . 10.0 112.993 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.96 -7.81 59.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.837 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -76.59 153.77 35.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.709 0.29 . . . . 10.0 110.592 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.44 ' O ' HG23 ' B' ' 26' ' ' VAL . 29.8 p -96.44 151.65 19.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.299 -0.41 . . . . 10.0 111.032 -178.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 38.1 mm -57.94 -41.12 79.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.041 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -62.16 -42.57 99.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.521 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.419 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 64.5 t30 -66.41 -36.08 81.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.948 0.404 . . . . 10.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 22' ' ' THR . 71.4 t -63.29 -43.77 98.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 10.0 109.722 178.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.429 ' HD2' ' HB2' ' B' ' 41' ' ' GLN . 50.6 mtmt -64.72 -30.72 71.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.445 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.49 -38.67 90.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.122 0.487 . . . . 10.0 110.044 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 18.4 mttm -64.69 -38.94 92.7 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.791 179.044 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 67.2 mt -68.29 -33.33 59.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.495 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.485 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 49.5 tt0 -65.86 -29.98 70.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.261 179.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -80.17 -43.28 21.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.526 -0.306 . . . . 10.0 110.606 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.2 mttt -71.43 -61.74 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.938 0.399 . . . . 10.0 111.903 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -79.16 -39.83 32.47 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.922 0.342 . . . . 10.0 111.922 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.485 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 96.26 16.88 36.19 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.51 -0.852 . . . . 10.0 112.283 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.9 mt -95.02 127.55 42.41 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 110.416 -0.216 . . . . 10.0 110.416 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 51.9 Cg_exo -55.33 132.91 55.07 Favored 'Trans proline' 0 CA--C 1.533 0.436 0 C-N-CA 122.6 2.2 . . . . 10.0 111.963 179.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 36.5 Cg_exo -60.06 -18.11 49.0 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.153 2.569 . . . . 10.0 112.895 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.53 -35.82 79.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.974 -0.557 . . . . 10.0 109.971 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -95.43 6.43 49.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.854 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.429 ' HB2' ' HD2' ' B' ' 27' ' ' LYS . 65.4 mt-30 -96.06 114.74 26.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.381 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.456 ' HD2' ' HD2' ' B' ' 72' ' ' ARG . 21.8 mtp180 -110.35 113.24 25.75 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.7 -0.852 . . . . 10.0 108.7 177.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 43' ' ' LEU . 16.0 mt -94.45 123.73 38.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.849 0.357 . . . . 10.0 110.851 -178.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -120.33 139.06 48.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.796 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.456 ' HB3' HD21 ' B' ' 50' ' ' LEU . 70.6 t80 -133.41 121.51 22.37 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.606 -0.725 . . . . 10.0 109.417 179.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.29 15.8 8.95 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.066 -0.515 . . . . 10.0 112.2 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.53 -0.86 46.05 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.751 -0.738 . . . . 10.0 113.362 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -118.81 152.75 35.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.93 0.365 . . . . 10.0 110.263 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.96 147.96 24.79 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.207 0.527 . . . . 10.0 112.013 -178.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.456 HD21 ' HB3' ' B' ' 45' ' ' PHE . 7.0 mt -103.05 128.73 49.8 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.018 -0.992 . . . . 10.0 108.754 178.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.5 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 48.9 mt-10 -78.19 153.94 31.55 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.723 0.297 . . . . 10.0 110.502 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.8 -47.81 84.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.736 -0.666 . . . . 10.0 111.58 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.53 48.12 3.9 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 121.047 -0.597 . . . . 10.0 113.133 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.5 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 37.6 mmt180 -136.66 161.26 36.41 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.89 -0.411 . . . . 10.0 109.89 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -105.0 159.17 16.03 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.955 -0.566 . . . . 10.0 109.721 179.165 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.49 HD12 ' O ' ' B' ' 18' ' ' GLU . 89.3 mt -63.61 -31.29 72.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.148 0.499 . . . . 10.0 110.63 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.7 p -70.07 -23.83 63.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.134 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.33 -19.66 64.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.577 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -112.58 12.64 19.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.455 -0.339 . . . . 10.0 110.379 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 57.49 34.82 25.13 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.65 -0.704 . . . . 10.0 112.099 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 66.7 mt -78.51 119.71 28.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.365 -0.379 . . . . 10.0 110.6 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -109.27 -172.71 2.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.333 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -71.94 162.71 29.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.284 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 60.08 27.1 16.5 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 123.415 0.447 . . . . 10.0 111.273 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 72.2 m -101.1 149.68 23.71 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.277 -0.419 . . . . 10.0 110.954 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 1.2 m -105.24 125.16 50.67 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.499 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -108.64 141.49 40.52 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.372 -0.973 . . . . 10.0 108.372 178.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.606 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 51.9 m80 -102.5 121.12 41.73 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 120.831 0.348 . . . . 10.0 111.275 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.5 tp -97.46 98.88 10.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.928 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.405 HG13 ' HB ' ' D' ' 490' ' ' THR . 69.8 t -93.31 130.23 42.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.394 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 79.8 mt -84.28 148.33 26.74 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.456 ' HD2' ' HD2' ' B' ' 42' ' ' ARG . 21.1 ttt180 -128.09 121.69 30.25 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.87 0.367 . . . . 10.0 111.001 -179.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 8.4 mp -110.31 12.76 23.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.572 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.46 ' HD2' ' HG3' ' D' ' 495' ' ' GLU . 0.0 OUTLIER -72.06 -30.71 65.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.637 179.841 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.88 -76.35 2.25 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.843 -0.617 . . . . 10.0 112.68 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.685 -1.064 . . . . 10.0 112.418 -179.462 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.477 0.9 0 CA-C-O 120.569 0.223 . . . . 10.0 110.845 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 67.88 20.59 9.24 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.874 -0.603 . . . . 10.0 111.713 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.53 -62.05 2.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.747 0.308 . . . . 10.0 110.961 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -69.98 -27.83 65.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.569 -0.287 . . . . 10.0 111.05 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.62 -42.58 99.67 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -71.3 -36.97 71.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.382 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -67.57 -33.78 75.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.879 -0.601 . . . . 10.0 110.777 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 61.9 mtm -79.38 -29.81 42.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.53 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -65.4 -37.51 87.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.99 0.424 . . . . 10.0 110.46 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -64.45 -27.57 69.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.375 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -64.52 -40.9 96.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.004 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 56.6 mt -72.92 -32.18 38.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.696 -0.684 . . . . 10.0 110.278 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -65.5 -27.06 68.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.222 0.534 . . . . 10.0 110.131 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -77.06 -12.6 59.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.241 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . 0.606 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 29.1 mmm -102.55 -47.64 4.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.431 -0.804 . . . . 10.0 109.985 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 468' ' ' PHE . . . . . 0.558 ' O ' HG12 ' D' ' 471' ' ' VAL . 66.7 m-85 -121.57 94.41 48.5 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.181 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -81.17 -2.65 11.8 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.286 1.991 . . . . 10.0 112.974 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 11.7 pm0 -99.16 -3.49 34.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.782 0.325 . . . . 10.0 111.416 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 471' ' ' VAL . . . . . 0.558 HG12 ' O ' ' D' ' 468' ' ' PHE . 9.9 p -94.07 135.34 24.74 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.589 -0.278 . . . . 10.0 110.405 -179.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 472' ' ' PRO . . . . . 0.437 ' HB3' ' CE1' ' D' ' 474' ' ' HIS . 32.6 Cg_exo -60.55 123.54 13.25 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.484 2.123 . . . . 10.0 112.136 178.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -57.19 -37.38 72.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.898 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 474' ' ' HIS . . . . . 0.437 ' CE1' ' HB3' ' D' ' 472' ' ' PRO . 53.7 p-80 -67.69 -24.42 65.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.592 0.234 . . . . 10.0 111.18 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 475' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' D' ' 475' ' ' LEU . 19.9 mt -80.27 -30.5 38.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.041 0.448 . . . . 10.0 109.913 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 57.9 t -65.93 -42.27 91.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.813 -0.631 . . . . 10.0 109.444 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.7 -20.79 66.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.908 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -73.13 -52.58 13.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.595 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 479' ' ' ASP . . . . . 0.549 ' HB3' HG23 ' D' ' 489' ' ' THR . 11.9 t70 -69.14 -32.4 71.74 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.938 0.399 . . . . 10.0 110.775 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.16 -30.01 67.85 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.168 0.508 . . . . 10.0 110.67 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -94.59 8.24 42.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.218 0.532 . . . . 10.0 110.526 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.41 -58.11 2.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.098 179.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 47.0 p -88.41 -32.75 18.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.419 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? 66.03 25.6 10.91 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.787 -0.642 . . . . 10.0 111.271 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 43.2 m -152.07 114.61 4.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.368 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 15.3 m -57.26 -29.62 33.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.44 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -65.5 -24.42 67.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.464 . . . . 10.0 111.01 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 30.7 mt -99.31 -31.86 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.96 0.409 . . . . 10.0 110.027 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 489' ' ' THR . . . . . 0.549 HG23 ' HB3' ' D' ' 479' ' ' ASP . 89.1 m -64.34 -53.48 48.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.362 -0.835 . . . . 10.0 111.443 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 490' ' ' THR . . . . . 0.405 ' HB ' HG13 ' B' ' 70' ' ' VAL . 1.5 m -59.57 -38.89 82.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.787 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 491' ' ' ASP . . . . . 0.421 ' O ' ' HG2' ' D' ' 495' ' ' GLU . 31.1 t70 -67.93 -41.19 82.93 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 178.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -54.98 -37.76 66.95 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.273 -0.876 . . . . 10.0 110.671 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 493' ' ' ILE . . . . . 0.449 HG13 ' O ' ' D' ' 489' ' ' THR . 59.7 mt -66.19 -43.21 92.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.188 179.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 76.1 mt -68.08 -35.93 78.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 495' ' ' GLU . . . . . 0.46 ' HG3' ' HD2' ' B' ' 74' ' ' ARG . 7.1 mm-40 -69.81 -36.52 75.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.257 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 116.7 27.57 2.75 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.278 -0.963 . . . . 10.0 113.005 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -82.42 -41.6 19.66 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 3.8 mp -93.19 132.36 37.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.575 -0.739 . . . . 10.0 109.023 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -69.76 141.68 53.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.013 0.435 . . . . 10.0 111.144 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 20.2 m -90.32 162.02 35.67 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.075 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.8 110.61 0.56 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.588 2.192 . . . . 10.0 112.317 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -97.94 122.25 55.17 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.134 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -72.19 118.29 5.54 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.302 2.001 . . . . 10.0 111.707 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.353 -0.832 . . . . 10.0 110.22 -179.764 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.483 1.207 0 CA-C-O 120.678 0.275 . . . . 10.0 110.378 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -105.66 146.88 29.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.644 0.259 . . . . 10.0 110.683 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.7 pt -129.98 160.56 40.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.699 -0.482 . . . . 10.0 109.699 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -116.28 111.14 19.7 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.069 0.461 . . . . 10.0 111.136 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.2 t -97.44 120.41 46.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.988 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -94.26 123.76 37.86 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.141 0.496 . . . . 10.0 110.935 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.98 163.21 14.08 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.045 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.4 mt -58.13 -30.38 66.28 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.854 0.359 . . . . 10.0 111.656 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.07 4.85 13.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 10.0 112.196 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.72 5.53 89.34 Favored Glycine 0 C--N 1.329 0.165 0 C-N-CA 120.834 -0.698 . . . . 10.0 112.183 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -77.38 143.83 38.4 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.003 -0.369 . . . . 10.0 110.003 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.7 m -114.0 116.91 29.95 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.254 -0.43 . . . . 10.0 109.925 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.0 mt -105.33 128.85 58.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.68 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.44 138.2 38.76 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mt -146.51 139.92 25.8 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.844 0.354 . . . . 10.0 111.268 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -82.46 123.75 29.44 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.602 -0.726 . . . . 10.0 109.89 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.2 m -139.3 159.64 28.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.683 -0.69 . . . . 10.0 110.472 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -117.28 157.14 47.85 Favored Pre-proline 0 C--N 1.32 -0.715 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -55.45 -30.26 72.68 Favored 'Trans proline' 0 CA--C 1.531 0.372 0 C-N-CA 122.5 2.133 . . . . 10.0 112.866 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.55 1.77 54.27 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.17 0.433 . . . . 10.0 112.17 -179.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -74.59 143.73 44.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.769 0.319 . . . . 10.0 110.502 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.452 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -93.64 147.78 22.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.113 -179.444 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.42 HG12 ' O ' ' A' ' 54' ' ' ARG . 48.5 mm -57.34 -36.01 51.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-O 120.949 0.404 . . . . 10.0 110.81 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -57.9 -42.9 85.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.284 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -71.31 -36.49 71.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.304 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 22' ' ' THR . 97.0 t -60.83 -43.81 96.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.507 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -63.58 -33.63 76.04 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.97 0.414 . . . . 10.0 110.136 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.73 -33.4 72.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.699 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -67.09 -37.57 84.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.042 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.0 mt -71.64 -36.25 58.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 108.911 -0.774 . . . . 10.0 108.911 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -63.09 -38.01 89.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.35 -0.841 . . . . 10.0 109.762 178.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -65.96 -25.7 67.23 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.375 -0.829 . . . . 10.0 111.109 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -94.06 -57.09 2.63 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.202 0.445 . . . . 10.0 112.202 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -82.66 -43.62 16.71 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.396 0.517 . . . . 10.0 112.396 -178.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.2 18.08 16.05 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 120.799 -0.715 . . . . 10.0 112.45 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.8 mt -94.4 126.13 49.33 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 122.86 -0.2 . . . . 10.0 110.525 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.54 135.13 67.82 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.715 2.277 . . . . 10.0 112.19 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.36 -25.81 49.8 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.304 2.669 . . . . 10.0 113.471 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -65.63 -36.76 84.63 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.067 0.46 . . . . 10.0 111.527 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -90.69 5.43 48.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.058 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -102.39 113.31 26.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.645 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.3 mtt180 -115.17 108.79 17.09 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.418 -0.586 . . . . 10.0 109.418 177.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.7 mt -92.37 126.83 37.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.248 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.1 mp -118.32 131.08 72.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.293 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.494 ' HB3' HD21 ' A' ' 50' ' ' LEU . 75.6 t80 -125.68 115.64 20.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.051 -0.522 . . . . 10.0 109.836 179.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.26 28.25 17.83 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.524 0.515 . . . . 10.0 111.562 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.21 -1.54 82.67 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.947 -0.644 . . . . 10.0 112.71 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt -108.04 138.54 44.12 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.1 -0.333 . . . . 10.0 110.1 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -80.14 137.8 36.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.757 0.313 . . . . 10.0 110.404 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.494 HD21 ' HB3' ' A' ' 45' ' ' PHE . 55.1 mt -87.91 119.64 28.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.434 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -79.07 138.18 37.85 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.22 -0.446 . . . . 10.0 110.636 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.6 -42.38 71.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.618 -0.719 . . . . 10.0 112.473 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.36 25.77 3.67 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.996 -0.621 . . . . 10.0 113.827 -178.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.42 ' O ' HG12 ' A' ' 23' ' ' ILE . 72.4 mmt-85 -127.45 163.14 24.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 117.079 0.44 . . . . 10.0 110.241 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.7 p -106.04 177.85 4.73 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.422 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.0 mt -69.34 -32.72 71.98 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.231 0.538 . . . . 10.0 110.153 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.2 m -71.6 -13.61 61.82 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.705 -0.68 . . . . 10.0 111.126 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -77.5 -14.09 59.76 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.454 -0.339 . . . . 10.0 110.956 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -125.33 13.56 8.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.154 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.3 t30 60.17 33.77 21.09 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.934 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.6 mt -75.89 111.45 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.805 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -95.13 -167.7 1.67 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.793 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.7 pttt -73.67 144.27 45.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.684 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 61.21 32.31 19.45 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.935 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.6 m -75.34 156.92 35.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.669 0.271 . . . . 10.0 110.47 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.2 m -95.87 111.96 23.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.385 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -109.36 126.19 53.14 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.736 -0.468 . . . . 10.0 109.736 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -98.88 127.2 44.74 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 110.07 -0.344 . . . . 10.0 110.07 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.6 tp -107.02 123.41 48.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.036 0.446 . . . . 10.0 111.353 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.0 t -120.14 134.72 62.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.698 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 67.0 mt -88.79 157.83 18.35 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.336 -0.246 . . . . 10.0 110.336 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 72' ' ' ARG . 55.9 ttt-85 -124.79 111.78 15.92 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.749 0.309 . . . . 10.0 111.037 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.6 mt -130.27 129.81 43.76 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.39 45.77 0.15 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.131 0.491 . . . . 10.0 110.787 -179.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -139.79 45.35 1.01 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.577 -0.821 . . . . 10.0 112.364 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 119.098 -0.834 . . . . 10.0 111.357 179.762 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.511 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 23.2 ptt? . . . . . 0 N--CA 1.483 1.197 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -106.17 142.62 35.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.943 0.402 . . . . 10.0 111.691 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.6 pt -128.08 160.55 37.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.201 -0.666 . . . . 10.0 109.201 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.437 ' O ' ' HA ' ' B' ' 66' ' ' THR . 51.0 m-85 -120.41 113.46 20.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.114 0.483 . . . . 10.0 111.099 -178.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -101.03 131.57 48.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.894 -0.594 . . . . 10.0 109.891 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -113.09 129.1 56.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.908 0.385 . . . . 10.0 110.777 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.435 HG22 HD23 ' B' ' 69' ' ' LEU . 73.3 p -93.22 171.76 8.72 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.416 HD23 ' HG3' ' D' ' 467' ' ' MET . 43.7 mt -70.79 -8.85 55.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.198 0.523 . . . . 10.0 110.852 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.77 -1.96 54.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.662 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.61 16.73 67.68 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.8 -0.714 . . . . 10.0 112.419 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 43.7 tttp -91.69 131.24 37.22 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.305 -0.257 . . . . 10.0 110.305 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.3 m -104.29 113.22 26.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.84 0.352 . . . . 10.0 110.312 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.6 mt -103.63 123.23 57.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.279 -0.418 . . . . 10.0 110.629 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.3 m -88.17 123.7 33.08 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.211 -0.449 . . . . 10.0 109.924 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 80.9 mt -124.34 145.21 49.57 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.84 0.352 . . . . 10.0 111.263 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -97.04 121.3 38.78 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.43 -0.581 . . . . 10.0 109.43 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.511 ' O ' ' HG2' ' B' ' 1' ' ' MET . 15.4 m -141.59 -175.9 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.723 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.496 ' O ' HD12 ' B' ' 56' ' ' LEU . 53.4 mm-40 -142.95 155.8 62.34 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 108.324 -0.991 . . . . 10.0 108.324 178.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -53.23 -31.21 54.77 Favored 'Trans proline' 0 CA--C 1.532 0.424 0 C-N-CA 122.618 2.212 . . . . 10.0 113.371 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.64 6.7 29.76 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.388 0.514 . . . . 10.0 112.388 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -73.75 158.52 34.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.112 0.482 . . . . 10.0 110.304 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.9 m -105.19 142.78 34.37 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.552 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 50.5 mm -53.38 -42.51 48.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-O 120.814 0.34 . . . . 10.0 111.19 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -58.27 -42.97 87.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.827 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -64.61 -38.36 90.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.25 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 67.0 t -61.54 -43.24 96.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 10.0 109.699 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -64.61 -35.31 80.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.242 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.58 -35.69 81.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.925 -0.58 . . . . 10.0 109.831 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -66.31 -38.62 88.12 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.875 179.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 82.5 mt -67.22 -35.37 73.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.165 -0.68 . . . . 10.0 109.165 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -70.14 -28.07 65.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.245 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -74.9 -45.93 39.37 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.943 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -76.87 -46.83 23.13 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.231 0.456 . . . . 10.0 112.231 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -93.05 -58.45 2.32 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 -178.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.08 0.28 10.63 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.701 -0.761 . . . . 10.0 112.303 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 15.7 mt -72.84 124.8 91.15 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 110.495 -0.187 . . . . 10.0 110.495 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -59.19 135.16 64.03 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.438 2.092 . . . . 10.0 111.909 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -55.57 -17.79 18.26 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.324 2.682 . . . . 10.0 113.395 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.63 -28.32 62.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.936 0.398 . . . . 10.0 111.163 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -103.21 13.64 33.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.951 0.405 . . . . 10.0 110.58 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -102.51 108.57 19.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.124 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -111.49 110.22 20.54 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.198 -0.667 . . . . 10.0 109.198 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 32.7 mt -94.02 134.35 36.52 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.138 0.494 . . . . 10.0 111.431 -178.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.434 HG12 ' CE2' ' D' ' 468' ' ' PHE . 1.6 mp -123.65 132.72 70.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.485 -0.779 . . . . 10.0 109.69 179.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.607 ' HB3' HD21 ' B' ' 50' ' ' LEU . 76.0 t80 -137.03 124.54 22.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.999 -0.546 . . . . 10.0 109.912 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.61 37.7 19.17 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.463 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.21 29.15 68.94 Favored Glycine 0 CA--C 1.517 0.172 0 C-N-CA 120.846 -0.693 . . . . 10.0 112.972 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -143.98 147.55 34.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.568 0.223 . . . . 10.0 110.481 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.77 142.17 31.79 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.384 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.607 HD21 ' HB3' ' B' ' 45' ' ' PHE . 31.9 mt -93.8 149.04 21.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.147 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.428 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 38.0 mt-10 -98.75 151.64 20.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.249 -0.432 . . . . 10.0 109.973 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.48 -52.09 66.69 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.397 0.518 . . . . 10.0 112.397 -178.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.3 58.92 4.95 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.802 -0.713 . . . . 10.0 113.342 -178.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.428 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 25.3 mmt180 -141.33 160.7 39.57 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.277 -0.268 . . . . 10.0 110.277 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.518 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 69.7 p -103.81 171.12 7.53 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.528 -0.545 . . . . 10.0 109.528 178.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.496 HD12 ' O ' ' B' ' 18' ' ' GLU . 27.2 mt -68.35 -33.67 74.71 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.204 -0.665 . . . . 10.0 109.204 178.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.97 -22.94 65.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.511 -0.768 . . . . 10.0 111.441 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.518 ' HB2' ' O ' ' B' ' 55' ' ' THR . 0.7 OUTLIER -57.08 -46.22 82.7 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.068 0.461 . . . . 10.0 111.058 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -103.13 12.21 36.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.293 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 59.54 38.07 22.51 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.34 -0.846 . . . . 10.0 111.974 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 62.1 mt -74.8 107.4 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.981 -0.554 . . . . 10.0 109.637 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -95.98 -165.48 1.29 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.802 -0.636 . . . . 10.0 110.93 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -79.45 153.86 29.34 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.453 -0.339 . . . . 10.0 110.437 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 69.44 6.32 5.63 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.694 0.621 . . . . 10.0 111.98 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 13.0 m -74.32 147.67 42.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.905 0.383 . . . . 10.0 111.093 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.437 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 2.0 m -99.15 129.74 45.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.304 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -115.84 130.99 57.06 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.237 -0.438 . . . . 10.0 109.939 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.527 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 50.0 m80 -88.15 120.39 29.46 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.44 -0.346 . . . . 10.0 110.074 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.435 HD23 HG22 ' B' ' 7' ' ' THR . 51.6 tp -104.72 107.45 18.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.169 0.509 . . . . 10.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 68.6 t -96.61 122.9 48.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.592 -0.731 . . . . 10.0 109.709 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 55.3 mt -83.62 119.87 25.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.674 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.509 ' HA ' ' CG ' ' D' ' 491' ' ' ASP . 0.5 OUTLIER -85.49 137.08 33.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.709 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 1.8 mp -143.19 110.84 5.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.203 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -124.75 -45.17 1.92 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.39 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -176.42 88.84 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.656 -0.783 . . . . 10.0 112.282 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.77 -1.016 . . . . 10.0 112.108 179.657 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 453' ' ' SER . . . . . 0.447 ' HB2' ' OG ' ' D' ' 455' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.477 0.881 0 CA-C-O 120.547 0.213 . . . . 10.0 110.507 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 67.08 14.18 9.72 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.822 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 455' ' ' SER . . . . . 0.447 ' OG ' ' HB2' ' D' ' 453' ' ' SER . 0.7 OUTLIER -60.47 -43.45 96.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.043 0.449 . . . . 10.0 111.105 -179.712 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -68.52 -41.16 80.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.315 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 59.3 mt -66.23 -38.17 87.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.566 -0.743 . . . . 10.0 110.886 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -63.54 -41.41 98.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.463 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.7 92.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.379 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 41.5 mtt -67.66 -46.01 73.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.949 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.39 -38.56 84.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.682 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -59.92 -35.46 74.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.256 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -68.77 -39.04 80.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.026 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 61.4 mt -67.5 -34.63 69.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.668 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 -63.84 -23.6 67.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.581 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -80.64 -19.39 45.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.447 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . 0.527 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 62.6 mmm -85.27 -49.45 8.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.02 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 468' ' ' PHE . . . . . 0.47 ' O ' HG12 ' D' ' 471' ' ' VAL . 0.5 OUTLIER -124.11 91.34 49.72 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.979 179.299 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -78.54 41.64 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.805 2.337 . . . . 10.0 112.942 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -147.37 18.3 1.19 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.072 0.463 . . . . 10.0 110.709 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 471' ' ' VAL . . . . . 0.47 HG12 ' O ' ' D' ' 468' ' ' PHE . 10.6 p -115.51 133.12 22.81 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.846 -0.616 . . . . 10.0 109.941 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 472' ' ' PRO . . . . . 0.445 ' HB3' ' CE1' ' D' ' 474' ' ' HIS . 52.5 Cg_exo -56.05 116.26 3.05 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.549 2.166 . . . . 10.0 112.224 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -54.89 -38.31 67.39 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.964 -179.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 474' ' ' HIS . . . . . 0.445 ' CE1' ' HB3' ' D' ' 472' ' ' PRO . 12.2 p-80 -64.0 -25.81 68.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.578 -0.283 . . . . 10.0 111.485 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 39.7 mt -85.55 -29.34 24.25 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.067 -0.346 . . . . 10.0 110.067 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 58.5 t -65.76 -40.92 89.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 108.808 -0.812 . . . . 10.0 108.808 178.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 49.1 mt -66.14 -26.78 67.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.519 -0.764 . . . . 10.0 110.637 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.34 -49.36 74.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.064 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 479' ' ' ASP . . . . . 0.584 ' HB2' HD11 ' D' ' 498' ' ' ILE . 10.9 t0 -74.95 -28.46 60.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.972 0.415 . . . . 10.0 110.295 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.17 -25.48 67.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.999 0.428 . . . . 10.0 110.258 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -92.83 -2.67 55.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.184 0.516 . . . . 10.0 110.078 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -103.89 -68.18 0.86 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.636 -0.711 . . . . 10.0 110.547 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.94 -41.01 37.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.081 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 63.06 37.58 11.5 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.89 -0.595 . . . . 10.0 111.508 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 50.6 m -155.94 109.21 2.71 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.037 -0.357 . . . . 10.0 110.037 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 5.2 m -45.65 -36.9 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 113.396 0.888 . . . . 10.0 113.396 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -64.12 -65.22 0.71 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.033 0.444 . . . . 10.0 111.08 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 488' ' ' ILE . . . . . 0.449 ' H ' HG13 ' D' ' 488' ' ' ILE . 16.3 mt -58.29 -35.9 55.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.452 -0.795 . . . . 10.0 112.026 -179.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 33.0 m -65.64 -63.23 1.14 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.039 -0.528 . . . . 10.0 112.251 -178.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 3.3 m -57.0 -39.05 73.95 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.186 0.439 . . . . 10.0 112.186 -177.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 491' ' ' ASP . . . . . 0.509 ' CG ' ' HA ' ' B' ' 72' ' ' ARG . 5.3 t0 -62.72 -57.68 10.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.906 0.384 . . . . 10.0 111.844 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 492' ' ' ASN . . . . . 0.411 ' HB3' ' HD3' ' D' ' 497' ' ' ARG . 37.8 m-80 -64.52 -22.43 66.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.387 -178.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 493' ' ' ILE . . . . . 0.425 HG12 HD13 ' D' ' 498' ' ' ILE . 11.6 mt -64.18 -37.0 78.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 178.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.96 -23.0 66.11 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.949 -0.568 . . . . 10.0 111.013 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -85.42 -3.12 58.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.535 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 95.31 31.56 7.5 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.504 -0.855 . . . . 10.0 112.502 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 497' ' ' ARG . . . . . 0.411 ' HD3' ' HB3' ' D' ' 492' ' ' ASN . 2.3 ttt180 -73.95 -34.03 64.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.463 0.649 . . . . 10.0 109.316 178.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 498' ' ' ILE . . . . . 0.584 HD11 ' HB2' ' D' ' 479' ' ' ASP . 1.4 mp -104.92 134.43 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 108.537 -0.912 . . . . 10.0 108.537 178.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -61.65 116.78 5.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.92 0.391 . . . . 10.0 110.923 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 30.1 m -71.94 156.97 90.36 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.835 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -69.37 91.26 0.47 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.746 2.298 . . . . 10.0 111.931 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -100.14 132.93 21.93 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.919 -0.582 . . . . 10.0 109.921 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.79 132.42 45.15 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.646 2.231 . . . . 10.0 112.289 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 11.9 t . . . . . 0 C--O 1.252 1.192 0 CA-C-O 118.567 -0.73 . . . . 10.0 109.749 179.705 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 109.916 -0.401 . . . . 10.0 109.916 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -107.84 131.55 54.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.914 0.388 . . . . 10.0 111.375 -179.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.4 pt -121.92 151.53 25.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.974 -0.557 . . . . 10.0 109.543 178.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -113.25 119.57 38.17 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.717 0.294 . . . . 10.0 110.879 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 63.9 t -105.49 121.21 57.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.373 -0.376 . . . . 10.0 110.268 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -97.17 138.92 33.93 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.044 0.449 . . . . 10.0 110.793 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.417 ' OG1' ' HB3' ' A' ' 11' ' ' LYS . 9.2 p -105.77 168.84 8.84 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.012 179.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.3 mt -59.44 -29.31 67.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 10.0 111.456 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.8 -5.62 57.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.773 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.46 -9.65 71.53 Favored Glycine 0 C--N 1.33 0.209 0 C-N-CA 120.741 -0.743 . . . . 10.0 112.948 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' HB3' ' OG1' ' A' ' 7' ' ' THR . 27.8 tttp -62.61 125.38 23.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.636 0.255 . . . . 10.0 110.411 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.1 m -102.23 113.76 27.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.816 0.341 . . . . 10.0 110.634 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.0 mt -103.23 124.33 57.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.773 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 m -94.58 125.85 39.49 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.61 -0.515 . . . . 10.0 109.61 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.5 mt -122.34 140.73 52.33 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.743 0.306 . . . . 10.0 111.147 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -93.9 111.79 23.54 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 108.991 -0.744 . . . . 10.0 108.991 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 22.9 m -134.8 176.06 9.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.427 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -132.75 160.25 69.21 Favored Pre-proline 0 C--N 1.319 -0.722 0 N-CA-C 109.07 -0.715 . . . . 10.0 109.07 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.9 -27.95 56.29 Favored 'Trans proline' 0 N--CA 1.474 0.354 0 C-N-CA 122.646 2.231 . . . . 10.0 113.572 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.19 5.35 41.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.477 -0.328 . . . . 10.0 111.785 -179.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -80.73 140.72 35.41 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.745 0.307 . . . . 10.0 110.225 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.47 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -87.6 148.0 25.04 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.571 -179.699 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.1 mm -57.96 -37.12 59.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.922 0.392 . . . . 10.0 110.062 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -59.64 -44.46 93.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.266 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -65.68 -36.29 83.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.883 -0.598 . . . . 10.0 110.161 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 22' ' ' THR . 90.2 t -62.5 -44.64 99.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.987 -0.551 . . . . 10.0 109.97 178.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -66.05 -33.24 75.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.221 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.42 -34.67 78.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.065 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -68.5 -39.91 81.09 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.474 -0.565 . . . . 10.0 109.474 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 55.5 mt -67.65 -34.2 66.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 121.625 0.726 . . . . 10.0 109.35 178.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.461 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 27.3 tt0 -64.55 -30.65 71.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.801 -1.09 . . . . 10.0 110.393 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -86.32 -33.81 20.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.345 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm -69.61 -59.26 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.493 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -94.6 -47.78 6.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.745 0.307 . . . . 10.0 111.425 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.461 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 118.99 -5.14 13.79 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.491 -0.862 . . . . 10.0 112.091 -179.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.1 mt -60.68 126.19 84.54 Favored Pre-proline 0 C--N 1.324 -0.51 0 C-N-CA 122.588 0.355 . . . . 10.0 111.234 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -60.86 129.4 28.86 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.476 2.117 . . . . 10.0 111.868 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -52.35 -24.18 20.56 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.367 2.711 . . . . 10.0 113.912 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.12 -35.31 80.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.808 0.337 . . . . 10.0 111.383 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -94.01 -3.67 50.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.835 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -82.02 103.94 12.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.382 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.402 HH22 ' HA ' ' D' ' 472' ' ' PRO . 39.4 ttt180 -107.79 100.03 9.44 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.721 -0.474 . . . . 10.0 109.721 178.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.401 ' HB3' HD12 ' A' ' 50' ' ' LEU . 34.4 mt -86.87 130.11 34.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.284 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.6 mt -130.75 135.85 59.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.761 -0.654 . . . . 10.0 109.766 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -129.28 109.92 11.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.96 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.49 24.43 14.06 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.916 -0.583 . . . . 10.0 111.786 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.19 -9.34 59.48 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.754 -0.736 . . . . 10.0 112.195 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -90.88 121.75 33.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.361 0.124 . . . . 10.0 110.765 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -76.74 122.1 24.25 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.783 -0.821 . . . . 10.0 108.783 178.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.401 HD12 ' HB3' ' A' ' 43' ' ' LEU . 12.4 mt -87.37 121.92 30.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.87 0.367 . . . . 10.0 111.642 -178.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.439 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 45.2 mt-10 -84.83 146.58 27.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.641 178.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -61.17 -36.01 78.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.066 -0.515 . . . . 10.0 111.93 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.62 28.5 3.49 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 121.103 -0.57 . . . . 10.0 113.707 -178.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.439 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 17.9 mmt180 -129.52 165.41 21.73 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.823 -0.436 . . . . 10.0 109.823 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 48.1 p -106.16 172.0 7.04 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.627 -0.509 . . . . 10.0 109.627 178.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.9 mt -67.15 -27.15 67.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.232 0.539 . . . . 10.0 110.388 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.8 m -75.83 -23.18 55.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.938 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.3 m-20 -61.61 -37.84 85.41 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.33 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -102.75 8.12 39.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.446 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 61.23 64.85 1.04 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 123.948 0.78 . . . . 10.0 111.015 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 54.0 mt -112.16 126.93 69.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.048 -0.523 . . . . 10.0 109.895 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -120.48 -170.79 2.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.042 0.448 . . . . 10.0 110.912 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -64.23 155.97 30.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.98 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 70.28 -5.95 1.24 Allowed 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.289 0.636 . . . . 10.0 112.394 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.7 m -72.55 137.43 46.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.882 0.372 . . . . 10.0 110.532 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.9 m -102.19 125.0 48.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.456 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 mp -105.81 158.51 16.69 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.694 -0.684 . . . . 10.0 109.361 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -120.15 137.88 53.91 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 121.04 -0.264 . . . . 10.0 110.384 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.5 tp -117.3 113.51 22.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.122 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.1 t -108.8 136.04 45.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.178 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 60.5 mt -84.17 101.84 12.15 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.615 -0.266 . . . . 10.0 110.429 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -73.85 84.66 1.69 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.875 0.369 . . . . 10.0 111.033 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 84.7 mt -82.63 125.56 31.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.033 -0.53 . . . . 10.0 110.141 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -114.4 16.71 17.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.094 0.473 . . . . 10.0 110.398 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.65 155.82 27.36 Favored Glycine 0 N--CA 1.446 -0.664 0 CA-C-N 115.79 -0.641 . . . . 10.0 111.675 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.947 0 CA-C-O 119.065 -0.853 . . . . 10.0 111.645 -179.815 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.412 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 25.2 ptt? . . . . . 0 N--CA 1.475 0.82 0 N-CA-C 109.953 -0.388 . . . . 10.0 109.953 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -93.71 139.86 30.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.954 0.407 . . . . 10.0 111.73 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.5 pt -127.74 148.17 32.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.477 -0.783 . . . . 10.0 109.571 178.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -105.42 109.78 21.89 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.9 0.381 . . . . 10.0 110.573 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -93.47 117.4 36.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.273 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -92.97 132.36 37.13 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.759 -0.459 . . . . 10.0 109.759 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 33.2 p -114.87 161.34 18.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.784 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 24.3 mt -69.57 -14.79 63.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.975 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.47 -4.41 58.92 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.847 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.96 26.63 48.54 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.996 -0.621 . . . . 10.0 112.617 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -112.3 124.57 52.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.633 0.254 . . . . 10.0 110.547 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -95.27 113.1 24.74 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 6.8 mt -97.21 125.25 50.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.147 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.24 114.48 26.58 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.782 -0.645 . . . . 10.0 109.652 179.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 93.9 mt -116.24 143.83 45.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.125 0.488 . . . . 10.0 112.113 -178.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -95.4 109.12 21.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.269 -0.878 . . . . 10.0 108.74 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.412 ' O ' ' HG2' ' B' ' 1' ' ' MET . 18.9 m -134.63 173.01 15.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.101 0.477 . . . . 10.0 111.027 -178.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.579 ' O ' HD12 ' B' ' 56' ' ' LEU . 56.8 mm-40 -131.1 152.57 80.88 Favored Pre-proline 0 C--N 1.317 -0.839 0 N-CA-C 108.607 -0.886 . . . . 10.0 108.607 178.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.29 -31.15 65.62 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.357 2.038 . . . . 10.0 112.259 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -84.01 5.95 23.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.778 -0.646 . . . . 10.0 112.257 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -84.24 137.93 33.22 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.886 -0.412 . . . . 10.0 109.886 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.6 m -80.63 144.37 32.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.768 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.44 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 45.6 mm -56.38 -40.38 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 CA-C-N 116.566 -0.288 . . . . 10.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -56.62 -38.17 71.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.038 0.446 . . . . 10.0 110.59 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.44 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 66.3 t30 -68.56 -36.55 78.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.075 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.42 ' O ' HG13 ' B' ' 30' ' ' ILE . 46.6 t -65.04 -39.16 84.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 178.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' B' ' 23' ' ' ILE . 7.4 mmmm -61.21 -39.05 88.79 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.78 -0.646 . . . . 10.0 109.932 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.52 ' O ' ' HG2' ' B' ' 31' ' ' GLN . . . -66.87 -37.85 85.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.531 -0.759 . . . . 10.0 110.489 179.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 96.3 mttt -63.2 -30.54 71.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.09 0.471 . . . . 10.0 110.036 179.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.42 HG13 ' O ' ' B' ' 26' ' ' VAL . 73.3 mt -72.45 -32.19 41.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.122 -0.49 . . . . 10.0 109.825 178.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' B' ' 28' ' ' ALA . 4.7 pt20 -77.81 -23.84 48.94 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 178.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -77.27 -44.61 29.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.367 -0.833 . . . . 10.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.1 mttm -87.13 -58.94 2.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.147 -0.479 . . . . 10.0 111.974 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -74.48 -56.38 4.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.668 0.271 . . . . 10.0 110.695 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.54 6.15 17.84 Favored Glycine 0 C--O 1.228 -0.247 0 C-N-CA 120.708 -0.758 . . . . 10.0 112.758 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.5 mt -86.32 126.31 65.09 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 110.192 -0.299 . . . . 10.0 110.192 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.43 127.98 26.09 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.962 2.441 . . . . 10.0 112.15 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.58 ' HA ' ' CD ' ' B' ' 41' ' ' GLN . 79.9 Cg_exo -49.31 -37.43 40.26 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.547 2.831 . . . . 10.0 113.832 -179.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -62.84 -24.08 67.61 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.927 -0.579 . . . . 10.0 112.225 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -96.0 -5.69 40.59 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.309 0.485 . . . . 10.0 112.309 -178.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.58 ' CD ' ' HA ' ' B' ' 38' ' ' PRO . 0.6 OUTLIER -95.38 139.72 31.28 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.596 -0.441 . . . . 10.0 110.696 -179.461 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.442 ' CZ ' HD22 ' D' ' 494' ' ' LEU . 0.6 OUTLIER -124.49 99.09 6.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.28 -0.418 . . . . 10.0 109.911 179.363 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 16.8 mt -79.9 127.19 31.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.333 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mp -120.3 139.67 46.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.541 -0.754 . . . . 10.0 109.967 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.505 ' HB3' HD21 ' B' ' 50' ' ' LEU . 42.9 t80 -137.48 123.47 20.23 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.356 -0.609 . . . . 10.0 109.356 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.4 17.56 10.39 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.645 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.43 -6.44 52.92 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.829 -0.7 . . . . 10.0 113.512 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -117.41 151.75 36.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 117.207 0.504 . . . . 10.0 111.403 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.33 146.52 32.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.141 -179.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.505 HD21 ' HB3' ' B' ' 45' ' ' PHE . 24.4 mt -95.27 150.77 19.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.326 179.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -97.03 137.82 35.51 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 178.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.409 ' OD1' ' HG3' ' B' ' 27' ' ' LYS . 32.4 m-20 -58.67 -37.65 76.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.504 -0.316 . . . . 10.0 111.362 -179.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.94 38.3 3.19 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.112 -0.566 . . . . 10.0 113.26 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.426 ' O ' HG12 ' B' ' 23' ' ' ILE . 75.4 mmt-85 -131.67 163.17 28.71 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 179.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.455 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 0.0 OUTLIER -104.14 160.3 14.97 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.723 -179.592 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.579 HD12 ' O ' ' B' ' 18' ' ' GLU . 91.4 mt -61.56 -35.1 76.85 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.706 0.288 . . . . 10.0 111.115 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 4.8 m -64.34 -26.83 68.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.463 -0.335 . . . . 10.0 111.497 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.455 ' HB2' ' O ' ' B' ' 55' ' ' THR . 6.2 m-20 -60.17 -36.99 78.83 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.067 0.46 . . . . 10.0 110.919 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -98.72 9.07 44.14 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.681 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 57.95 38.72 26.94 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.813 -0.63 . . . . 10.0 111.586 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 82.0 mt -75.75 110.51 10.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.936 0.398 . . . . 10.0 110.221 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -90.3 179.89 5.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.71 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -77.43 152.2 34.4 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.617 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 63.03 39.59 9.98 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.031 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 19.1 m -107.17 164.42 12.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.705 -0.679 . . . . 10.0 110.415 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.9 m -108.65 133.38 52.83 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.7 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.3 mp -116.11 145.87 42.69 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.194 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.512 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 36.4 m80 -98.56 114.36 26.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.428 -0.351 . . . . 10.0 111.17 -179.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.45 HD11 ' HB3' ' B' ' 41' ' ' GLN . 47.4 tp -98.05 90.31 4.84 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.294 -0.632 . . . . 10.0 109.294 178.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.432 ' CG1' ' HB ' ' D' ' 490' ' ' THR . 59.8 t -82.61 140.64 16.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.962 -0.563 . . . . 10.0 111.101 -178.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 34.6 mt -88.95 162.77 15.89 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.539 -0.755 . . . . 10.0 109.604 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.558 ' HE ' ' CG ' ' D' ' 491' ' ' ASP . 0.0 OUTLIER -151.0 148.84 28.86 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 121.064 -0.254 . . . . 10.0 110.837 -179.048 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 5.7 mp -131.04 -73.57 0.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.325 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.42 ' HD2' ' O ' ' B' ' 75' ' ' GLY . 8.6 tmm_? -174.38 124.29 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.651 -0.704 . . . . 10.0 109.561 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . 0.42 ' O ' ' HD2' ' B' ' 74' ' ' ARG . . . -97.19 -125.74 5.15 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.373 -0.917 . . . . 10.0 111.716 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.409 -1.217 . . . . 10.0 111.857 179.514 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 N--CA 1.478 0.965 0 CA-C-O 120.388 0.137 . . . . 10.0 110.703 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 7.5 t30 60.06 27.91 17.39 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.057 0.456 . . . . 10.0 111.373 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.29 -42.93 92.62 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.069 -0.514 . . . . 10.0 112.245 -178.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -66.48 -42.72 87.04 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.11 -0.236 . . . . 10.0 111.569 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 8.0 mt -62.34 -42.88 99.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.649 -0.25 . . . . 10.0 110.386 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -62.12 -46.32 89.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.469 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -59.66 -44.28 93.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 10.0 111.295 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 48.8 mtm -66.02 -40.44 91.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.734 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -67.59 -32.86 73.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.628 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -58.5 -45.85 87.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.584 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 463' ' ' GLN . . . . . 0.577 ' O ' ' HG2' ' D' ' 467' ' ' MET . 0.4 OUTLIER -63.75 -39.24 93.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.701 179.657 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 88.0 mt -67.04 -35.25 74.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.379 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 15.4 tp60 -63.78 -32.31 73.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.175 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -69.69 -37.33 76.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.094 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . 0.577 ' HG2' ' O ' ' D' ' 463' ' ' GLN . 67.0 mmm -73.84 -44.18 56.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.499 -0.773 . . . . 10.0 111.187 -179.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 468' ' ' PHE . . . . . 0.578 ' O ' HG12 ' D' ' 471' ' ' VAL . 37.5 m-85 -116.86 91.56 35.83 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-O 121.008 0.432 . . . . 10.0 110.023 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -68.15 -19.96 44.26 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 123.004 2.469 . . . . 10.0 113.567 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 15.0 pm0 -90.09 -12.36 38.63 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.032 0.382 . . . . 10.0 112.032 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 471' ' ' VAL . . . . . 0.578 HG12 ' O ' ' D' ' 468' ' ' PHE . 2.1 p -83.12 139.9 42.51 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 120.578 0.228 . . . . 10.0 110.654 -179.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 472' ' ' PRO . . . . . 0.425 ' HD2' HG22 ' D' ' 471' ' ' VAL . 53.7 Cg_endo -83.18 131.66 5.89 Favored 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 122.111 1.874 . . . . 10.0 112.52 178.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -48.51 -42.54 33.35 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.151 -0.931 . . . . 10.0 113.354 -178.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 474' ' ' HIS . . . . . 0.413 ' CE1' ' HB2' ' D' ' 472' ' ' PRO . 36.1 p-80 -64.1 -36.02 82.66 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 112.12 0.415 . . . . 10.0 112.12 -177.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 475' ' ' LEU . . . . . 0.456 ' O ' ' HB3' ' D' ' 478' ' ' GLN . 21.0 mt -75.29 -28.67 59.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.796 0.332 . . . . 10.0 110.457 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 476' ' ' VAL . . . . . 0.407 HG23 ' O ' ' D' ' 472' ' ' PRO . 62.2 t -66.62 -45.4 88.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.445 -0.576 . . . . 10.0 109.445 178.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 55.4 mt -63.0 -27.09 69.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.534 -0.757 . . . . 10.0 110.528 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 478' ' ' GLN . . . . . 0.456 ' HB3' ' O ' ' D' ' 475' ' ' LEU . 0.0 OUTLIER -61.55 -50.03 74.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.019 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -69.73 -34.97 74.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.343 -0.39 . . . . 10.0 110.412 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.7 -25.05 64.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.413 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -79.28 -15.05 58.58 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.467 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 482' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' D' ' 482' ' ' LEU . 3.9 mm? -110.18 -43.81 3.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.758 0.313 . . . . 10.0 111.738 -178.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 69.5 p -89.71 -41.56 11.84 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.578 0.228 . . . . 10.0 111.312 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? 63.55 24.43 14.02 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.379 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 2.2 t -142.15 122.87 14.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.527 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 31.1 m -62.97 -27.81 43.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.963 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -67.9 -38.09 82.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.612 -0.722 . . . . 10.0 111.008 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 31.6 mt -85.01 -30.42 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.453 -0.339 . . . . 10.0 110.84 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 90.2 m -63.95 -48.47 76.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.53 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 490' ' ' THR . . . . . 0.432 ' HB ' ' CG1' ' B' ' 70' ' ' VAL . 3.2 p -66.13 -32.16 73.44 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.085 0.469 . . . . 10.0 109.9 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 491' ' ' ASP . . . . . 0.558 ' CG ' ' HE ' ' B' ' 72' ' ' ARG . 12.9 t0 -62.18 -54.84 35.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.266 -0.879 . . . . 10.0 109.166 178.123 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 492' ' ' ASN . . . . . 0.431 ' HB3' ' HB3' ' D' ' 497' ' ' ARG . 67.1 m-20 -57.11 -35.3 69.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.501 -1.227 . . . . 10.0 111.726 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 96.6 mt -73.7 -41.47 54.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 10.0 111.112 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 494' ' ' LEU . . . . . 0.442 HD22 ' CZ ' ' B' ' 42' ' ' ARG . 0.2 OUTLIER -66.12 -26.01 67.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.2 -0.455 . . . . 10.0 111.413 -179.56 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -86.29 -77.96 0.3 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.065 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 167.2 29.96 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.201 -0.999 . . . . 10.0 113.148 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 497' ' ' ARG . . . . . 0.431 ' HB3' ' HB3' ' D' ' 492' ' ' ASN . 5.7 tpp180 -74.96 -49.43 20.05 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 3.6 mp -86.38 122.46 38.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.145 -0.934 . . . . 10.0 108.755 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -65.99 109.81 2.69 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.852 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 28.4 m -62.38 158.47 47.92 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 115.375 -0.829 . . . . 10.0 111.053 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -61.85 97.74 0.16 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.832 2.354 . . . . 10.0 112.547 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -93.74 131.65 31.65 Favored Pre-proline 0 N--CA 1.451 -0.411 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.849 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -70.47 89.26 0.6 Allowed 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.504 2.136 . . . . 10.0 112.543 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 6.6 t . . . . . 0 C--O 1.251 1.177 0 CA-C-O 118.491 -0.766 . . . . 10.0 110.531 179.586 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.485 1.308 0 N-CA-C 110.26 -0.274 . . . . 10.0 110.26 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 -104.33 136.55 43.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.785 0.326 . . . . 10.0 111.407 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.2 pt -130.04 168.56 22.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.503 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.435 ' O ' ' HA ' ' A' ' 66' ' ' THR . 45.9 m-85 -126.83 128.83 47.16 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.524 -0.307 . . . . 10.0 110.428 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.0 t -108.84 120.85 60.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -103.95 139.51 39.0 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.155 0.502 . . . . 10.0 111.317 -178.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.9 p -104.9 168.54 8.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.498 -0.773 . . . . 10.0 110.592 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.7 mt -67.24 -25.64 66.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.426 -0.352 . . . . 10.0 111.237 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.33 -15.04 62.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.079 -0.509 . . . . 10.0 111.822 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.51 21.5 21.75 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.582 -0.818 . . . . 10.0 112.078 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.0 tttp -105.14 136.45 44.6 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.829 0.347 . . . . 10.0 110.417 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.6 m -109.18 123.92 50.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.368 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.0 mt -104.85 132.24 52.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.521 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -89.01 133.97 34.15 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.958 -0.386 . . . . 10.0 109.958 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.4 mt -139.27 135.62 34.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.079 0.466 . . . . 10.0 111.655 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -93.12 116.92 29.49 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.39 -0.823 . . . . 10.0 108.893 178.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.6 m -136.16 173.26 14.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.142 -178.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.557 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 6.8 mm-40 -131.98 161.06 64.93 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.638 -0.71 . . . . 10.0 109.294 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.87 -27.91 74.59 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.079 1.853 . . . . 10.0 112.003 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.81 -3.2 56.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.55 -0.75 . . . . 10.0 111.452 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.557 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -70.5 128.84 37.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.92 0.39 . . . . 10.0 110.332 -179.872 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.51 148.43 26.53 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.057 -0.519 . . . . 10.0 109.744 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.1 mm -56.11 -39.02 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.737 0.303 . . . . 10.0 110.701 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -60.41 -35.23 75.28 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.681 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -71.1 -37.4 72.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.83 0.348 . . . . 10.0 110.065 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.8 t -62.14 -40.37 87.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.49 -0.559 . . . . 10.0 109.49 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -60.82 -40.63 93.46 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.686 -0.688 . . . . 10.0 109.892 178.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.96 -39.85 90.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.636 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -63.1 -36.61 84.18 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.018 0.437 . . . . 10.0 110.155 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 97.4 mt -67.95 -38.48 80.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.989 -0.55 . . . . 10.0 109.896 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -71.16 -31.12 67.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.912 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.89 -43.82 82.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.069 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -82.61 -59.13 2.62 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.442 0.534 . . . . 10.0 112.442 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -81.14 -50.83 9.13 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.387 0.514 . . . . 10.0 112.387 -178.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.32 21.13 8.17 Favored Glycine 0 C--N 1.322 -0.219 0 C-N-CA 120.378 -0.915 . . . . 10.0 112.636 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.9 mt -87.81 128.75 53.08 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 110.114 -0.328 . . . . 10.0 110.114 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -55.07 132.06 50.08 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.659 2.239 . . . . 10.0 111.687 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -60.67 -24.46 78.63 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.696 2.264 . . . . 10.0 112.774 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -66.63 -33.89 76.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.073 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -95.12 6.33 49.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.037 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -94.19 115.23 27.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.046 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -120.83 98.16 5.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.195 0.521 . . . . 10.0 109.625 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.441 ' HB3' HD12 ' A' ' 50' ' ' LEU . 58.0 mt -84.52 132.04 34.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.648 -0.706 . . . . 10.0 111.732 -178.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 74.3 mt -129.03 137.26 57.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.527 -0.76 . . . . 10.0 109.436 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.522 ' HB3' HD21 ' A' ' 50' ' ' LEU . 74.1 t80 -137.33 125.99 23.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.517 0.198 . . . . 10.0 110.809 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.96 26.96 15.65 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.911 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.422 ' HA2' ' CZ ' ' D' ' 473' ' ' TYR . . . 83.0 17.35 67.59 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.665 -0.779 . . . . 10.0 112.847 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -127.44 133.47 49.93 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.907 -0.405 . . . . 10.0 109.907 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -74.92 132.54 41.52 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.876 0.37 . . . . 10.0 110.234 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.522 HD21 ' HB3' ' A' ' 45' ' ' PHE . 41.5 mt -85.94 123.67 31.54 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.088 -179.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -86.59 138.52 31.63 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.035 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.66 -33.13 69.75 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.71 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.89 41.3 2.99 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.012 -0.613 . . . . 10.0 112.372 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 77.4 mmt-85 -140.58 160.76 39.32 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.633 -0.506 . . . . 10.0 109.633 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.537 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -104.72 171.49 7.29 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.521 -0.309 . . . . 10.0 110.388 179.478 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.4 HD12 ' O ' ' A' ' 18' ' ' GLU . 62.7 mt -64.98 -38.12 89.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.735 0.302 . . . . 10.0 111.417 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.96 -20.1 66.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.506 -0.315 . . . . 10.0 111.533 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.537 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.9 m-20 -63.03 -36.36 83.32 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.935 0.398 . . . . 10.0 111.116 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -107.39 19.12 20.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.071 -178.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 60.06 31.75 20.73 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.674 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.9 mt -75.97 115.64 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.018 0.437 . . . . 10.0 110.124 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -115.06 -161.58 0.78 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.521 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.435 ' HG2' ' H ' ' A' ' 63' ' ' LYS . 31.9 pttt -72.23 147.82 46.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.44 -0.345 . . . . 10.0 111.256 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 70.64 13.51 7.28 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.314 0.646 . . . . 10.0 111.798 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.4 m -77.07 133.31 39.1 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.807 0.337 . . . . 10.0 110.277 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 19.6 m -100.71 114.23 27.79 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.3 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.4 mp -95.6 136.37 36.09 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.587 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -99.74 130.4 45.95 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.968 0.413 . . . . 10.0 110.749 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.8 tp -108.19 102.67 11.8 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.578 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.4 t -89.9 121.58 40.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.993 -0.549 . . . . 10.0 109.678 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 24.5 mt -82.83 119.79 24.82 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.22 -0.446 . . . . 10.0 110.372 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.58 91.89 4.02 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.707 -0.479 . . . . 10.0 109.707 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 72.5 mt -75.96 140.64 42.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.545 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 64.1 ttt-85 -153.8 112.47 3.66 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.664 -0.698 . . . . 10.0 109.466 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 102.41 136.36 9.14 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 111.148 -0.781 . . . . 10.0 111.148 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.805 0 N-CA-C 111.035 -0.826 . . . . 10.0 111.035 -179.206 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.76 ' SD ' ' HA ' ' B' ' 63' ' ' LYS . 14.0 ptt? . . . . . 0 N--CA 1.478 0.962 0 N-CA-C 110.159 -0.311 . . . . 10.0 110.159 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.492 ' O ' ' HA ' ' B' ' 64' ' ' GLU . 71.7 mm-40 -106.55 138.76 42.14 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.062 -0.347 . . . . 10.0 110.062 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 25.4 pt -117.91 153.98 19.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 110.198 -0.297 . . . . 10.0 110.198 178.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -107.33 117.48 34.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.91 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 16.9 t -119.17 109.8 27.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.649 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -88.68 140.09 29.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.974 0.416 . . . . 10.0 110.953 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.56 168.7 8.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.559 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.424 HD23 ' HB3' ' D' ' 463' ' ' GLN . 25.8 mt -67.93 -5.85 19.07 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 111.942 0.349 . . . . 10.0 111.942 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.31 -9.38 50.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.898 0.38 . . . . 10.0 110.62 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.73 -9.06 68.62 Favored Glycine 0 C--N 1.331 0.26 0 CA-C-N 115.956 -0.565 . . . . 10.0 111.869 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -78.54 139.93 38.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.5 -0.35 . . . . 10.0 110.874 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -105.33 117.23 33.48 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.708 -0.479 . . . . 10.0 109.708 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 10.4 mt -93.87 136.36 25.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.5 -0.318 . . . . 10.0 110.685 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 5.9 m -106.45 126.59 52.44 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.388 -0.597 . . . . 10.0 109.388 178.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 48.7 mt -123.03 142.15 51.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.553 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -94.38 109.91 21.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.373 -0.83 . . . . 10.0 109.222 178.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 19.2 m -141.01 176.59 4.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.315 0.579 . . . . 10.0 111.862 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -131.72 156.98 79.42 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 108.133 -1.062 . . . . 10.0 108.133 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.43 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 47.6 Cg_exo -56.15 -34.86 94.21 Favored 'Trans proline' 0 CA--C 1.531 0.344 0 C-N-CA 122.25 1.967 . . . . 10.0 112.713 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.53 0.13 27.36 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.128 0.418 . . . . 10.0 112.128 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -74.07 141.87 45.68 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.953 -0.388 . . . . 10.0 109.953 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.65 144.51 25.68 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.609 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 51.3 mm -54.48 -36.37 34.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-O 121.078 0.466 . . . . 10.0 110.445 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -57.5 -43.83 84.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.619 -0.718 . . . . 10.0 110.592 178.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -70.99 -34.52 71.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.544 -0.753 . . . . 10.0 110.664 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 96.0 t -62.49 -40.04 86.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.555 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -63.44 -30.48 71.6 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.994 0.426 . . . . 10.0 110.624 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.15 -35.83 76.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.136 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -69.44 -34.2 74.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.177 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 84.8 mt -71.52 -40.46 71.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.858 -0.423 . . . . 10.0 109.858 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.445 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 65.4 tt0 -66.64 -24.98 66.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.222 0.534 . . . . 10.0 110.224 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -77.95 -21.66 50.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.84 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -103.32 -59.52 1.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.633 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -80.69 -27.22 37.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.536 -178.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.445 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 83.91 9.29 82.9 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.597 -0.811 . . . . 10.0 112.92 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 66.5 mt -82.84 126.8 72.06 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 110.625 -0.139 . . . . 10.0 110.625 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.457 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 30.3 Cg_exo -58.89 147.83 87.32 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.509 2.14 . . . . 10.0 112.096 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 23.1 Cg_exo -63.14 -15.36 47.52 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.596 2.197 . . . . 10.0 112.222 179.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.45 -32.43 62.61 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.064 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -94.64 -1.98 52.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.124 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -90.06 105.99 18.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.604 -0.725 . . . . 10.0 112.005 -178.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 -113.63 101.97 9.83 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.642 -0.874 . . . . 10.0 108.642 177.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 23.9 mt -87.29 130.91 34.42 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.142 -177.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.479 ' HA ' ' O ' ' B' ' 48' ' ' LYS . 1.4 mp -123.38 137.77 55.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.473 -0.785 . . . . 10.0 110.908 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.464 ' HB3' HD21 ' B' ' 50' ' ' LEU . 69.5 t80 -133.54 121.7 22.51 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.721 -0.844 . . . . 10.0 108.721 178.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.25 18.23 11.16 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.605 0.566 . . . . 10.0 111.251 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.44 10.11 57.22 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 121.093 -0.575 . . . . 10.0 113.509 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.479 ' O ' ' HA ' ' B' ' 44' ' ' ILE . 8.3 mtmt -126.92 161.02 29.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 117.045 0.423 . . . . 10.0 110.769 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -85.45 152.44 23.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.825 0.345 . . . . 10.0 111.296 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.464 HD21 ' HB3' ' B' ' 45' ' ' PHE . 48.2 mt -102.68 152.3 21.37 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.235 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.408 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 0.8 OUTLIER -95.63 147.95 23.04 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.901 -0.407 . . . . 10.0 109.901 179.632 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.91 -53.0 62.64 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.844 0.354 . . . . 10.0 111.387 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.53 52.56 4.57 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.982 -0.627 . . . . 10.0 113.118 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.408 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 18.6 mmt180 -140.49 150.75 44.15 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.107 -0.331 . . . . 10.0 110.107 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 43.6 p -102.72 168.25 9.37 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.172 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.43 ' HB2' ' HA ' ' B' ' 19' ' ' PRO . 68.1 mt -66.67 -31.7 72.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.059 0.457 . . . . 10.0 110.517 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -24.88 65.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.051 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -63.91 -34.05 77.08 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.214 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -96.64 7.3 46.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.09 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 65.86 34.86 6.99 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.062 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 95.9 mt -78.41 135.43 26.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.408 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -101.59 -170.2 1.79 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.029 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.76 ' HA ' ' SD ' ' B' ' 1' ' ' MET . 55.2 pttt -75.69 146.75 39.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.13 -0.487 . . . . 10.0 111.65 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.492 ' HA ' ' O ' ' B' ' 2' ' ' GLN . 30.2 mt-10 54.31 43.79 29.96 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.654 -0.703 . . . . 10.0 112.106 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 55.8 m -88.54 162.57 16.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.039 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.1 m -106.95 133.24 51.91 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.623 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.5 mp -122.57 153.64 38.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.119 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.586 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 35.4 m170 -101.84 132.05 47.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.601 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 53.4 tp -110.91 95.62 5.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.126 0.489 . . . . 10.0 110.311 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 54.0 t -81.35 121.6 35.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.789 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 62.4 mt -86.29 126.42 34.3 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.51 143.04 50.91 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.898 0.38 . . . . 10.0 110.95 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.536 HD11 ' HB2' ' D' ' 487' ' ' GLU . 3.6 mt -110.83 117.5 33.59 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.497 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' B' ' 74' ' ' ARG . 5.4 mmt180 -132.04 99.57 4.77 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 178.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.27 21.61 51.28 Favored Glycine 0 N--CA 1.443 -0.878 0 N-CA-C 110.692 -0.963 . . . . 10.0 110.692 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.222 0 CA-C-O 118.621 -1.1 . . . . 10.0 111.545 -179.617 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.478 0.948 0 CA-C-O 120.482 0.182 . . . . 10.0 111.184 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 68.3 16.71 9.3 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 122.966 0.506 . . . . 10.0 111.641 179.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 4.9 m -56.03 -54.37 45.79 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.797 0.665 . . . . 10.0 112.797 -178.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -70.35 -38.53 74.83 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.753 0.279 . . . . 10.0 111.753 -178.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 95.1 mt -62.42 -43.91 97.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.689 0.281 . . . . 10.0 111.009 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -62.87 -43.76 97.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.809 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -59.99 -44.07 94.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.373 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 71.0 mtm -68.54 -40.43 80.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.099 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -68.07 -29.36 68.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.791 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -58.21 -44.92 88.39 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.76 0.281 . . . . 10.0 111.76 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 463' ' ' GLN . . . . . 0.424 ' HB3' HD23 ' B' ' 8' ' ' LEU . 0.1 OUTLIER -57.22 -32.95 67.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.143 0.497 . . . . 10.0 111.409 -179.284 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 62.2 mt -75.07 -37.22 40.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.055 -0.521 . . . . 10.0 110.016 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 -64.12 -32.13 73.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.292 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -68.11 -31.17 70.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.851 -0.613 . . . . 10.0 111.334 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . 0.586 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 59.9 mtm -88.88 -24.68 22.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.901 0.381 . . . . 10.0 111.427 -179.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 468' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -129.15 85.5 59.53 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-O 121.163 0.506 . . . . 10.0 110.346 178.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -79.03 32.38 0.47 Allowed 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 122.66 2.24 . . . . 10.0 113.352 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.05 -2.27 2.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.755 -0.202 . . . . 10.0 111.53 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 471' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.45 130.65 22.71 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 110.458 -0.201 . . . . 10.0 110.458 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 472' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -57.66 133.57 57.35 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 122.778 2.319 . . . . 10.0 112.776 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 473' ' ' TYR . . . . . 0.422 ' CZ ' ' HA2' ' A' ' 47' ' ' GLY . 3.1 t80 -54.62 -42.86 71.69 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.664 -0.698 . . . . 10.0 112.185 -179.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 54.4 p-80 -65.69 -23.67 66.83 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.842 0.312 . . . . 10.0 111.842 -178.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 475' ' ' LEU . . . . . 0.43 ' O ' ' HB3' ' D' ' 478' ' ' GLN . 15.6 mt -78.27 -30.88 48.79 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.739 -0.467 . . . . 10.0 109.739 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 23.6 t -73.06 -40.58 58.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.725 -0.671 . . . . 10.0 109.392 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 52.0 mt -62.65 -24.76 67.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.428 179.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 478' ' ' GLN . . . . . 0.434 HE21 ' HB3' ' D' ' 478' ' ' GLN . 4.1 tt0 -65.19 -56.7 11.35 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.582 -0.735 . . . . 10.0 110.716 179.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 479' ' ' ASP . . . . . 0.654 ' HB3' HG23 ' D' ' 489' ' ' THR . 14.9 t70 -64.91 -30.42 71.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.29 -0.413 . . . . 10.0 110.72 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 480' ' ' LEU . . . . . 0.409 ' O ' ' HA ' ' D' ' 484' ' ' ARG . 0.4 OUTLIER -61.09 -23.41 65.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.846 179.314 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -94.66 -3.59 49.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.049 0.452 . . . . 10.0 110.587 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 482' ' ' LEU . . . . . 0.435 ' HA ' HD13 ' D' ' 482' ' ' LEU . 3.0 mm? -104.6 -57.87 1.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.178 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 483' ' ' THR . . . . . 0.406 ' HB ' HD12 ' D' ' 488' ' ' ILE . 80.3 p -87.57 -35.68 17.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.752 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 484' ' ' ARG . . . . . 0.409 ' HA ' ' O ' ' D' ' 480' ' ' LEU . 40.3 mtt180 64.61 17.55 10.95 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.581 -0.736 . . . . 10.0 111.166 179.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 1.6 m -138.21 122.15 17.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.356 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 16.2 m -60.85 -27.71 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.639 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 487' ' ' GLU . . . . . 0.536 ' HB2' HD11 ' B' ' 73' ' ' LEU . 2.0 mp0 -69.18 -12.8 61.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.104 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 488' ' ' ILE . . . . . 0.406 HD12 ' HB ' ' D' ' 483' ' ' THR . 34.6 mt -107.2 -46.23 7.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 489' ' ' THR . . . . . 0.654 HG23 ' HB3' ' D' ' 479' ' ' ASP . 21.8 m -54.48 -49.42 70.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.943 -0.571 . . . . 10.0 112.368 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 490' ' ' THR . . . . . 0.497 HG21 ' HE3' ' D' ' 467' ' ' MET . 3.1 m -60.33 -44.39 95.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.533 -179.101 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 491' ' ' ASP . . . . . 0.5 ' O ' ' HG2' ' D' ' 495' ' ' GLU . 28.7 t70 -68.29 -42.21 79.83 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 179.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 492' ' ' ASN . . . . . 0.422 ' HB3' ' HB3' ' D' ' 497' ' ' ARG . 17.8 m-20 -51.27 -38.8 54.75 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.415 -0.811 . . . . 10.0 111.544 178.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 92.0 mt -65.51 -43.41 94.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.821 0.343 . . . . 10.0 110.543 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 12.2 mt -66.96 -25.82 66.52 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 495' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' D' ' 491' ' ' ASP . 10.5 mm-40 -80.75 -47.48 13.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.339 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 130.45 13.71 2.05 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.477 -0.868 . . . . 10.0 112.39 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 497' ' ' ARG . . . . . 0.422 ' HB3' ' HB3' ' D' ' 492' ' ' ASN . 18.4 tpp180 -65.82 -41.98 91.16 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.756 -0.831 . . . . 10.0 108.756 178.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 4.4 mp -99.91 118.83 47.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.21 -1.033 . . . . 10.0 108.21 178.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -66.7 136.02 54.91 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.096 0.474 . . . . 10.0 111.301 -179.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 29.8 m -81.87 164.6 47.97 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.489 -0.778 . . . . 10.0 109.991 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -65.96 79.43 0.28 Allowed 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.484 2.123 . . . . 10.0 112.101 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -70.42 119.64 73.63 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.495 -0.775 . . . . 10.0 110.569 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -67.26 107.49 1.38 Allowed 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.464 2.11 . . . . 10.0 111.439 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.413 -0.803 . . . . 10.0 110.056 -179.572 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.496 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 24.1 ptt? . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 110.193 -0.299 . . . . 10.0 110.193 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -95.64 143.21 27.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.743 0.306 . . . . 10.0 111.307 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.5 pt -128.37 154.08 38.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.796 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -107.18 106.32 16.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.573 -0.285 . . . . 10.0 111.037 -179.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.5 t -92.78 115.6 31.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.874 -0.417 . . . . 10.0 109.874 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.6 mttt -102.61 133.36 47.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.35 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.3 p -104.78 172.42 6.8 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.024 179.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.8 mt -58.53 -38.76 78.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.477 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.09 -10.49 59.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.775 -0.648 . . . . 10.0 112.218 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.8 0.09 62.49 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.468 -0.872 . . . . 10.0 112.73 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -69.75 117.61 11.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.878 0.37 . . . . 10.0 110.021 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -97.93 118.82 35.36 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.426 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.0 mt -109.1 126.29 66.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.69 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.23 113.5 25.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.595 179.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.5 mt -114.75 147.33 39.87 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.54 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -101.14 115.63 30.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.219 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.496 ' O ' ' HG2' ' A' ' 1' ' ' MET . 15.4 m -139.74 175.6 6.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.784 -0.644 . . . . 10.0 109.832 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.531 ' O ' HD12 ' A' ' 56' ' ' LEU . 8.5 mm-40 -127.5 156.07 75.8 Favored Pre-proline 0 C--N 1.32 -0.716 0 N-CA-C 109.281 -0.637 . . . . 10.0 109.281 179.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -51.51 -41.09 61.98 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.364 2.043 . . . . 10.0 112.93 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.62 7.43 4.57 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.737 0.644 . . . . 10.0 112.737 -178.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -80.33 158.82 25.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.914 0.388 . . . . 10.0 110.215 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 m -98.93 145.13 27.34 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.566 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.462 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 46.2 mm -55.92 -37.52 48.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.792 0.33 . . . . 10.0 110.699 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -57.8 -42.22 83.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.697 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.486 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 61.8 t30 -64.0 -36.48 84.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.115 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.7 t -62.92 -42.0 94.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.417 -0.586 . . . . 10.0 109.417 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 5.3 mmmm -61.41 -39.83 92.18 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.589 -0.732 . . . . 10.0 109.622 179.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.6 -39.05 91.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.529 -0.76 . . . . 10.0 110.768 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 58.0 mttt -65.0 -37.14 86.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.095 0.474 . . . . 10.0 110.012 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 95.8 mt -68.95 -35.35 68.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.411 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 64.8 tt0 -71.65 -29.36 64.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.99 178.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -73.16 -35.52 66.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.454 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -84.65 -62.98 1.42 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.82 -0.627 . . . . 10.0 111.725 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -77.84 -57.72 3.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.003 0.43 . . . . 10.0 111.247 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 116.98 11.45 9.1 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.677 -0.773 . . . . 10.0 112.351 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.9 mt -85.94 125.6 68.1 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.459 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 46.9 Cg_exo -55.5 142.72 80.39 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.521 2.147 . . . . 10.0 112.174 179.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 44.4 Cg_exo -56.94 -28.04 75.93 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.008 2.472 . . . . 10.0 112.958 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.32 -22.35 64.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.452 ' HA ' ' HB3' ' A' ' 72' ' ' ARG . 75.6 mt-30 -104.11 6.46 35.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.345 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.404 ' HB2' ' HE3' ' A' ' 27' ' ' LYS . 76.7 mt-30 -99.56 115.93 30.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.862 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -110.14 96.01 5.95 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.992 -0.373 . . . . 10.0 109.992 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.532 ' HB3' HD12 ' A' ' 50' ' ' LEU . 18.4 mt -90.95 124.55 35.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.227 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 72.6 mt -123.6 135.49 63.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.367 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -127.36 112.21 14.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.513 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.84 28.35 15.88 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.901 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.43 -18.24 57.3 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.84 -0.695 . . . . 10.0 112.826 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -94.63 125.28 39.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 122.809 -0.23 . . . . 10.0 110.474 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -73.51 134.46 43.86 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.091 -0.337 . . . . 10.0 110.091 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.532 HD12 ' HB3' ' A' ' 43' ' ' LEU . 56.7 mt -82.19 119.66 24.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.513 -179.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.421 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 59.1 mt-10 -84.21 142.15 30.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.86 178.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -65.16 -18.53 65.38 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.48 0.548 . . . . 10.0 112.48 -178.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.14 11.04 72.74 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.534 -0.841 . . . . 10.0 112.981 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.421 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 31.7 mmt180 -114.69 165.24 13.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.988 0.423 . . . . 10.0 110.677 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.5 p -104.05 175.67 5.41 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.678 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 18' ' ' GLU . 82.3 mt -72.55 -33.62 66.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.036 0.446 . . . . 10.0 110.256 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -23.13 63.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.827 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -62.25 -38.15 88.18 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.452 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -98.26 6.17 47.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.406 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 61.87 41.94 10.96 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.624 -0.716 . . . . 10.0 111.566 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 84.1 mt -83.47 122.38 37.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.561 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -104.03 -168.0 1.44 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.347 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.0 pttp -75.71 150.2 37.91 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.504 -0.316 . . . . 10.0 110.466 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 65.11 28.31 12.3 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.901 -0.591 . . . . 10.0 111.502 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.0 m -85.49 150.47 24.66 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.187 -0.301 . . . . 10.0 110.187 179.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.2 m -99.87 122.98 43.64 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.103 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -112.35 137.85 49.91 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.804 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.57 123.17 44.41 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.558 -0.292 . . . . 10.0 110.727 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.6 tp -112.82 107.01 15.47 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.994 0.426 . . . . 10.0 110.581 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.4 t -96.75 144.29 10.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.767 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 94.6 mt -87.12 138.05 31.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.06 0.457 . . . . 10.0 111.465 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.452 ' HB3' ' HA ' ' A' ' 40' ' ' GLN . 47.3 ttt180 -102.38 95.58 6.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.974 179.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.9 mt -83.72 164.5 19.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.22 -0.445 . . . . 10.0 111.25 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -155.24 158.16 38.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.751 -0.659 . . . . 10.0 109.585 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 138.23 -52.05 0.75 Allowed Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.624 -0.798 . . . . 10.0 112.632 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.709 -1.051 . . . . 10.0 112.019 -179.494 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.482 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 21.5 ptt? . . . . . 0 N--CA 1.482 1.161 0 N-CA-C 110.238 -0.282 . . . . 10.0 110.238 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -108.89 142.07 40.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.635 0.255 . . . . 10.0 110.883 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 21.4 pt -130.07 156.79 42.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.192 -0.67 . . . . 10.0 109.192 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -114.98 111.81 21.72 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.904 0.383 . . . . 10.0 110.905 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 46.0 t -93.4 112.83 27.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.916 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -91.92 123.39 35.25 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.035 0.445 . . . . 10.0 110.537 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.48 155.93 16.53 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.678 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 11.1 mt -58.5 -19.65 39.1 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.523 0.564 . . . . 10.0 112.523 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.11 -7.24 59.66 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.043 0.386 . . . . 10.0 112.043 -179.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.72 21.37 31.41 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.579 -0.819 . . . . 10.0 111.348 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -102.41 137.11 41.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.341 -0.429 . . . . 10.0 110.057 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -114.58 113.54 24.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.916 0.389 . . . . 10.0 110.608 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 12.2 mt -102.68 118.88 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.348 -179.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -89.58 113.52 24.96 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.946 -0.39 . . . . 10.0 109.946 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.7 mt -113.34 146.48 39.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.792 0.33 . . . . 10.0 111.575 -179.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -93.43 116.65 29.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.685 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.482 ' O ' ' HG2' ' B' ' 1' ' ' MET . 15.7 m -136.45 177.1 6.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.516 -179.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.429 ' O ' HD12 ' B' ' 56' ' ' LEU . 7.0 mm-40 -141.42 160.46 56.96 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -48.6 -39.86 37.55 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 123.209 2.606 . . . . 10.0 114.736 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 14.8 m -84.84 6.1 26.05 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.717 0.636 . . . . 10.0 112.717 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -79.11 128.25 33.04 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.865 -0.42 . . . . 10.0 109.865 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.86 149.87 43.15 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.867 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.408 HG12 ' O ' ' B' ' 54' ' ' ARG . 46.9 mm -58.07 -36.49 57.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.185 0.517 . . . . 10.0 109.802 179.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -58.64 -36.87 74.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.353 -0.839 . . . . 10.0 110.811 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -67.18 -33.66 75.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 10.0 109.981 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 24.7 t -66.63 -39.83 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 109.368 -0.605 . . . . 10.0 109.368 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.456 ' HE3' ' O ' ' B' ' 41' ' ' GLN . 2.0 mmmm -61.32 -42.14 98.19 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.628 -0.714 . . . . 10.0 109.509 179.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.04 -38.49 91.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.464 -0.789 . . . . 10.0 110.833 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -64.87 -37.41 87.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.49 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 80.4 mt -70.32 -39.85 77.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.61 -0.515 . . . . 10.0 109.61 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -65.32 -38.21 89.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.662 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -61.8 -36.52 81.36 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.596 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -88.49 -59.45 2.23 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.954 0.724 . . . . 10.0 112.954 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -77.41 -28.93 52.85 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.308 0.855 . . . . 10.0 113.308 -176.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.17 -2.45 78.85 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.592 -0.813 . . . . 10.0 112.513 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 56.0 mt -77.2 121.68 84.98 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 110.274 -0.269 . . . . 10.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.486 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 45.6 Cg_exo -55.93 140.72 86.15 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.547 2.164 . . . . 10.0 111.95 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 35.0 Cg_exo -60.95 -18.9 60.03 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.213 2.609 . . . . 10.0 113.135 -179.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -63.34 -40.81 98.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.264 -0.426 . . . . 10.0 111.99 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.428 ' OE1' ' HB2' ' B' ' 37' ' ' PRO . 21.0 mp0 -88.95 1.03 56.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.727 0.299 . . . . 10.0 111.605 -179.117 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.456 ' O ' ' HE3' ' B' ' 27' ' ' LYS . 78.4 mt-30 -87.55 110.3 20.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.455 -0.338 . . . . 10.0 111.471 -179.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.4 ' NE ' HD22 ' D' ' 494' ' ' LEU . 35.4 ttt180 -112.3 101.98 10.16 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.725 -0.843 . . . . 10.0 108.725 178.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 40.4 mt -78.75 121.38 24.67 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.16 0.505 . . . . 10.0 111.49 -178.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -111.35 152.11 13.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.313 -0.858 . . . . 10.0 109.768 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -140.59 89.78 2.3 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.828 -0.349 . . . . 10.0 111.437 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.29 41.92 25.0 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 113.25 0.833 . . . . 10.0 113.25 178.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.36 -21.45 19.53 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.091 -1.052 . . . . 10.0 112.918 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -103.12 179.63 4.22 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.51 0.195 . . . . 10.0 110.877 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -132.51 141.65 48.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.177 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 22.8 mt -92.22 146.32 23.8 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.005 -0.369 . . . . 10.0 110.005 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.487 ' HB2' ' HG2' ' B' ' 54' ' ' ARG . 35.1 mt-10 -109.61 145.29 36.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.826 0.346 . . . . 10.0 110.972 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.01 -28.02 69.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.754 -0.657 . . . . 10.0 112.532 -178.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.39 17.03 50.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.793 -0.718 . . . . 10.0 113.431 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.487 ' HG2' ' HB2' ' B' ' 51' ' ' GLU . 37.3 mmm-85 -121.57 166.26 14.48 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 122.453 -0.439 . . . . 10.0 110.2 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.517 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 76.7 p -110.95 174.75 5.71 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.165 -0.309 . . . . 10.0 110.165 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.429 HD12 ' O ' ' B' ' 18' ' ' GLU . 70.2 mt -69.15 -26.87 65.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.848 0.356 . . . . 10.0 110.668 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.1 m -73.34 -23.59 60.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.276 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.517 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.1 m-20 -58.06 -50.15 74.44 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.257 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -92.64 7.33 43.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.53 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 49.5 t30 57.82 55.83 5.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.293 -0.867 . . . . 10.0 111.22 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 87.8 mt -90.03 124.62 42.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.319 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -100.58 -168.75 1.62 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.951 0.405 . . . . 10.0 111.286 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -78.76 151.52 32.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.02 -0.537 . . . . 10.0 111.025 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 66.94 19.85 10.56 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.685 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 28.3 m -82.17 142.47 32.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.618 -0.265 . . . . 10.0 110.295 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.5 m -97.94 121.99 40.51 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.411 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mp -106.63 149.2 27.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.225 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -103.57 128.25 50.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.339 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 68.4 tp -110.22 104.6 13.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.723 0.297 . . . . 10.0 110.941 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 93.3 t -95.73 134.96 31.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.414 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 75.2 mt -98.56 117.57 33.3 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.097 -0.705 . . . . 10.0 109.097 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.599 ' HB2' ' OD1' ' D' ' 491' ' ' ASP . 1.6 ptm180 -105.79 164.3 12.04 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.709 0.29 . . . . 10.0 110.859 -179.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.438 HD11 HG12 ' D' ' 488' ' ' ILE . 0.3 OUTLIER -149.43 151.14 33.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.46 -0.336 . . . . 10.0 111.188 -179.517 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 21.3 mtp-105 68.76 -70.47 0.13 Allowed 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.918 0.761 . . . . 10.0 112.194 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 122.66 51.59 0.22 Allowed Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.866 -0.683 . . . . 10.0 112.289 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.541 -1.144 . . . . 10.0 112.437 179.892 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 4.6 p . . . . . 0 N--CA 1.472 0.641 0 N-CA-C 110.44 -0.207 . . . . 10.0 110.44 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 62.04 27.09 16.37 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.218 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.23 -49.03 73.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.295 -179.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -73.38 -38.95 65.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.485 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 60.5 mt -62.56 -39.18 92.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.679 -0.691 . . . . 10.0 110.706 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -65.39 -45.68 83.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.82 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -59.81 -43.94 94.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.959 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 39.0 mtm -64.77 -43.81 92.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.904 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.02 -38.4 90.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.335 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -60.04 -36.8 78.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 10.0 111.018 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 11.0 tp60 -66.25 -34.56 78.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.859 0.361 . . . . 10.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 464' ' ' ILE . . . . . 0.485 ' HA ' ' HE2' ' D' ' 467' ' ' MET . 72.7 mt -71.2 -32.1 46.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.079 0.466 . . . . 10.0 110.258 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -62.11 -31.34 71.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.41 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -70.16 -28.31 65.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.839 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . 0.485 ' HE2' ' HA ' ' D' ' 464' ' ' ILE . 58.5 mtm -85.28 -44.84 12.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.611 -178.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 468' ' ' PHE . . . . . 0.573 ' O ' HG12 ' D' ' 471' ' ' VAL . 1.4 m-30 -114.94 86.65 13.77 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 116.33 -0.395 . . . . 10.0 110.185 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 469' ' ' PRO . . . . . 0.482 ' HD3' ' O ' ' D' ' 467' ' ' MET . 8.6 Cg_exo -71.56 9.81 0.9 Allowed 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 123.037 2.492 . . . . 10.0 113.29 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -119.4 6.59 11.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.537 -0.301 . . . . 10.0 111.608 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 471' ' ' VAL . . . . . 0.573 HG12 ' O ' ' D' ' 468' ' ' PHE . 8.0 p -102.5 134.38 19.97 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 120.637 0.256 . . . . 10.0 111.111 -179.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 472' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' D' ' 471' ' ' VAL . 23.2 Cg_exo -65.99 126.5 15.97 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.518 2.145 . . . . 10.0 111.682 178.211 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -53.45 -42.81 67.54 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.809 0.67 . . . . 10.0 112.809 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -63.67 -29.56 70.78 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.636 0.236 . . . . 10.0 111.636 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 475' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' D' ' 475' ' ' LEU . 16.1 mt -74.34 -33.54 63.17 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 21.3 t -67.59 -41.44 85.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.338 -0.616 . . . . 10.0 109.338 178.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . 0.496 ' O ' ' HG3' ' D' ' 481' ' ' GLN . 26.6 mt -65.26 -26.56 68.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.572 -0.74 . . . . 10.0 110.768 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -63.16 -52.47 62.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 479' ' ' ASP . . . . . 0.605 ' HB3' HG23 ' D' ' 489' ' ' THR . 12.6 t70 -67.12 -34.77 78.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.405 -0.362 . . . . 10.0 110.393 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 480' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' D' ' 480' ' ' LEU . 0.4 OUTLIER -58.5 -26.62 63.65 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.031 -0.531 . . . . 10.0 111.219 179.68 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 481' ' ' GLN . . . . . 0.496 ' HG3' ' O ' ' D' ' 477' ' ' LEU . 65.1 mt-30 -81.58 -23.02 37.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.174 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 482' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' D' ' 482' ' ' LEU . 3.5 mm? -93.56 -54.89 3.47 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.233 0.457 . . . . 10.0 112.233 -178.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 70.3 p -87.61 -39.43 15.07 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.263 0.468 . . . . 10.0 112.263 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 64.68 30.35 12.56 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.269 0.557 . . . . 10.0 110.38 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 11.3 m -146.95 119.76 8.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.216 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 486' ' ' VAL . . . . . 0.414 HG12 HD11 ' D' ' 464' ' ' ILE . 2.7 m -57.07 -34.08 44.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 112.197 0.443 . . . . 10.0 112.197 -179.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -60.93 -47.01 88.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.012 0.434 . . . . 10.0 110.337 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 488' ' ' ILE . . . . . 0.438 HG12 HD11 ' B' ' 73' ' ' LEU . 16.5 mt -73.77 -42.56 54.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.716 -0.674 . . . . 10.0 110.802 -179.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 489' ' ' THR . . . . . 0.605 HG23 ' HB3' ' D' ' 479' ' ' ASP . 90.8 m -55.53 -54.11 48.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.42 -0.355 . . . . 10.0 111.855 -179.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 1.4 m -64.98 -36.9 85.87 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.978 -0.289 . . . . 10.0 111.51 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 491' ' ' ASP . . . . . 0.599 ' OD1' ' HB2' ' B' ' 72' ' ' ARG . 23.0 t70 -66.83 -43.75 82.92 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.704 -0.48 . . . . 10.0 109.704 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -56.96 -44.58 82.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.231 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 89.8 mt -67.36 -43.18 87.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.844 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 494' ' ' LEU . . . . . 0.4 HD22 ' NE ' ' B' ' 42' ' ' ARG . 0.1 OUTLIER -66.69 -30.43 70.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.471 -0.331 . . . . 10.0 111.423 -179.674 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -80.67 -40.7 25.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.308 -0.405 . . . . 10.0 111.377 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 123.58 28.43 1.3 Allowed Glycine 0 CA--C 1.518 0.253 0 C-N-CA 120.294 -0.955 . . . . 10.0 113.263 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -68.24 -27.64 66.53 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.265 0.555 . . . . 10.0 109.983 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 2.9 mp -118.65 123.61 71.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.215 -0.902 . . . . 10.0 108.739 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -64.68 133.59 52.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.18 0.514 . . . . 10.0 111.644 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 35.4 m -80.31 166.69 38.36 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.193 -0.912 . . . . 10.0 109.787 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.91 93.21 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.391 2.06 . . . . 10.0 112.277 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -86.07 129.34 54.36 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.169 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -62.4 101.92 0.26 Allowed 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.368 2.045 . . . . 10.0 112.166 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 6.5 t . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.072 -0.966 . . . . 10.0 109.687 179.953 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.595 0.236 . . . . 10.0 110.368 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -108.09 142.01 38.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.622 -0.263 . . . . 10.0 110.635 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.2 pt -127.28 153.36 36.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.334 -0.394 . . . . 10.0 109.948 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -110.97 103.18 11.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.254 0.55 . . . . 10.0 111.065 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.1 t -92.68 120.48 42.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.686 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -105.24 127.95 53.19 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.238 0.542 . . . . 10.0 111.377 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.36 154.19 18.71 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.594 -0.73 . . . . 10.0 109.349 178.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.5 mt -72.58 54.89 0.35 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.077 0.465 . . . . 10.0 111.776 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.51 23.72 0.12 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.181 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.39 38.69 95.21 Favored Glycine 0 C--N 1.334 0.437 0 C-N-CA 121.008 -0.615 . . . . 10.0 112.059 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -118.95 131.29 56.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.509 0.195 . . . . 10.0 110.713 -178.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.0 m -118.8 124.22 46.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.858 0.361 . . . . 10.0 110.661 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.3 mt -118.15 124.89 73.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.081 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -96.96 109.2 21.99 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.855 0.36 . . . . 10.0 110.308 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.2 mt -108.28 153.78 22.74 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.803 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -98.82 126.38 44.45 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.911 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.1 m -143.82 175.11 3.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.218 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 4.7 mm-40 -135.67 164.6 42.29 Favored Pre-proline 0 C--N 1.317 -0.836 0 N-CA-C 108.691 -0.855 . . . . 10.0 108.691 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -53.44 -37.39 81.94 Favored 'Trans proline' 0 CA--C 1.534 0.48 0 C-N-CA 122.267 1.978 . . . . 10.0 112.958 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.09 3.37 30.83 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.417 0.525 . . . . 10.0 112.417 -179.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.7 OUTLIER -73.07 129.1 37.33 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 109.65 -0.5 . . . . 10.0 109.65 179.681 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.424 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -80.81 147.92 30.23 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.868 -179.462 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.616 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 49.6 mm -58.11 -41.42 80.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.053 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -58.48 -38.71 78.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.675 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.487 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 65.9 t30 -68.21 -36.37 79.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.041 179.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 22' ' ' THR . 59.1 t -63.28 -37.58 79.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.956 -0.565 . . . . 10.0 109.737 179.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.616 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 6.7 mmmm -61.36 -40.01 92.72 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.716 -0.675 . . . . 10.0 109.972 179.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.98 -38.83 89.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.505 -0.77 . . . . 10.0 110.796 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.487 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 52.2 mttt -61.02 -39.67 90.63 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.124 0.488 . . . . 10.0 110.15 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 68.9 mt -70.19 -39.09 76.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.882 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -64.4 -30.69 71.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.796 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -76.69 -38.04 55.11 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.134 0.42 . . . . 10.0 112.134 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -87.04 -37.13 17.75 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.965 0.728 . . . . 10.0 112.965 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -99.72 -33.45 10.58 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.3 0.482 . . . . 10.0 112.3 -178.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.94 0.15 68.84 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.519 -0.848 . . . . 10.0 112.017 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.6 mt -77.94 127.7 81.06 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 110.298 -0.26 . . . . 10.0 110.298 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 18.2 Cg_endo -61.11 136.63 66.28 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.438 2.092 . . . . 10.0 112.288 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 32.4 Cg_exo -58.75 -24.7 72.68 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.808 2.339 . . . . 10.0 112.629 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.52 -22.64 67.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.949 -0.568 . . . . 10.0 111.691 -179.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -108.41 5.38 25.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.868 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.485 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 79.6 mt-30 -94.66 111.67 23.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.05 -179.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.7 mtt180 -112.28 99.84 8.34 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.912 -0.403 . . . . 10.0 109.912 178.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.7 mt -85.48 120.07 26.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.816 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -114.14 132.62 62.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.385 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -125.17 109.83 13.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.079 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.83 15.77 9.31 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.53 -0.759 . . . . 10.0 111.993 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.529 ' HA2' ' HB3' ' D' ' 473' ' ' TYR . . . 114.33 -31.4 6.46 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.599 -0.81 . . . . 10.0 112.725 179.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -84.09 137.91 33.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.887 0.375 . . . . 10.0 110.4 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -82.59 135.94 34.94 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.565 -0.531 . . . . 10.0 109.565 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.9 mt -80.41 133.56 35.9 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.429 -0.35 . . . . 10.0 110.596 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.515 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 3.0 mt-10 -86.38 144.14 27.48 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 179.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.41 -45.95 80.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.928 -0.578 . . . . 10.0 112.333 -178.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.45 43.29 3.18 Favored Glycine 0 CA--C 1.516 0.109 0 C-N-CA 120.758 -0.734 . . . . 10.0 114.234 -178.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.515 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 30.3 mmt180 -133.51 167.48 20.38 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.608 -0.516 . . . . 10.0 109.608 179.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.2 p -109.77 169.38 8.75 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.901 -0.407 . . . . 10.0 109.901 178.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.438 HD12 ' O ' ' A' ' 18' ' ' GLU . 63.4 mt -65.87 -31.62 72.66 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.109 0.48 . . . . 10.0 110.66 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.26 -20.48 63.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.23 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -70.08 -19.75 63.25 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.198 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -116.19 8.29 14.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.603 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t30 63.7 31.76 14.18 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.556 -0.747 . . . . 10.0 111.456 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.1 mt -76.76 122.98 32.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.11 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -111.36 -168.32 1.29 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.532 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -71.42 150.4 45.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.783 0.325 . . . . 10.0 111.491 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 66.2 15.35 10.05 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.418 -0.81 . . . . 10.0 112.413 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.9 m -78.01 139.36 39.12 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.904 0.383 . . . . 10.0 110.248 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.84 130.76 37.55 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.691 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.3 mp -120.44 141.29 50.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.226 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.2 m80 -95.59 121.89 37.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.361 -0.382 . . . . 10.0 111.15 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.6 tp -100.02 97.51 8.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.202 0.525 . . . . 10.0 110.043 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.4 HG13 ' HB2' ' D' ' 469' ' ' PRO . 25.6 t -88.73 134.99 26.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.381 -0.827 . . . . 10.0 110.752 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.6 mt -112.84 131.62 55.63 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -109.13 123.82 49.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.816 0.341 . . . . 10.0 111.115 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.5 mt -80.7 163.21 23.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.33 -0.396 . . . . 10.0 110.111 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 55.7 mmm-85 -100.54 -26.4 13.85 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.856 0.36 . . . . 10.0 110.915 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -148.42 169.22 29.05 Favored Glycine 0 N--CA 1.443 -0.838 0 C-N-CA 120.905 -0.664 . . . . 10.0 111.956 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.9 -0.945 . . . . 10.0 111.57 179.949 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.482 1.153 0 N-CA-C 109.914 -0.402 . . . . 10.0 109.914 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -100.84 135.0 42.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.604 0.24 . . . . 10.0 110.678 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 28.0 pt -125.6 153.37 33.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.404 -0.591 . . . . 10.0 109.404 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -116.7 110.92 19.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.782 0.325 . . . . 10.0 110.714 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 15.7 t -98.47 113.75 34.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.071 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -96.59 136.82 36.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.868 0.366 . . . . 10.0 110.468 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.8 p -105.76 168.39 9.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.917 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.569 HD22 ' HB ' ' D' ' 486' ' ' VAL . 13.2 mt -61.9 -22.15 65.33 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.057 0.456 . . . . 10.0 110.923 178.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.84 -12.21 60.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.833 -0.621 . . . . 10.0 111.734 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.91 -3.0 62.18 Favored Glycine 0 C--N 1.329 0.16 0 C-N-CA 121.018 -0.61 . . . . 10.0 112.444 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -76.69 138.17 39.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.772 0.32 . . . . 10.0 110.953 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.9 m -111.68 107.53 16.67 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.346 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.2 mt -91.16 130.2 40.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.521 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m -99.77 131.58 45.66 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.552 -0.536 . . . . 10.0 109.552 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 88.9 mt -132.11 129.72 40.27 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.837 0.351 . . . . 10.0 111.124 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -87.17 90.76 8.48 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.145 -0.687 . . . . 10.0 109.145 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.492 HG12 ' HE3' ' B' ' 29' ' ' LYS . 33.7 m -114.01 179.9 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.696 -0.683 . . . . 10.0 110.693 -178.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -133.69 154.04 80.42 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 109.295 -0.632 . . . . 10.0 109.295 179.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -53.33 -37.55 81.3 Favored 'Trans proline' 0 N--CA 1.472 0.257 0 C-N-CA 122.761 2.308 . . . . 10.0 113.064 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -6.66 49.11 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 112.789 0.663 . . . . 10.0 112.789 -178.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -76.49 151.28 36.47 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.848 -0.427 . . . . 10.0 109.848 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.479 ' O ' HG23 ' B' ' 26' ' ' VAL . 3.2 p -94.44 151.95 18.97 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.691 -178.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.3 mm -59.14 -37.87 70.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.261 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.27 -42.95 92.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.593 178.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.4 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 57.8 t30 -69.52 -33.69 73.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.57 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.479 HG23 ' O ' ' B' ' 22' ' ' THR . 82.7 t -62.47 -42.81 97.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 178.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -63.96 -33.08 74.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.763 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.64 -35.47 80.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.093 0.473 . . . . 10.0 110.316 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.492 ' HE3' HG12 ' B' ' 17' ' ' VAL . 35.4 mttm -67.78 -37.04 81.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.188 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 69.5 mt -67.66 -29.21 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.635 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.531 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 62.4 tt0 -72.75 -29.89 63.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.84 178.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -78.38 -42.46 30.26 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.818 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.2 mttt -74.81 -68.1 0.58 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.957 0.408 . . . . 10.0 111.087 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -73.13 -58.9 2.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.942 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.531 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 113.29 25.38 4.41 Favored Glycine 0 C--N 1.32 -0.312 0 C-N-CA 120.622 -0.799 . . . . 10.0 111.937 -178.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 43.2 mt -96.97 129.31 32.77 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.76 -0.22 . . . . 10.0 110.494 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.473 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 42.9 Cg_exo -56.81 133.84 60.63 Favored 'Trans proline' 0 CA--C 1.53 0.302 0 C-N-CA 122.185 1.923 . . . . 10.0 111.71 179.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 37.7 Cg_exo -60.25 -15.02 32.31 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.865 2.376 . . . . 10.0 112.973 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -78.0 -25.12 47.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.801 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -102.21 -2.88 28.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.608 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -83.41 106.42 15.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.801 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.491 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 7.8 mtp180 -100.81 93.16 5.4 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.546 -0.538 . . . . 10.0 109.546 179.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 15.1 mt -79.91 128.02 32.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.492 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.2 mp -126.57 137.12 58.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.603 -0.726 . . . . 10.0 109.577 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -129.63 107.28 9.32 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.595 -0.521 . . . . 10.0 109.595 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.5 19.55 11.84 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.997 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.64 -19.19 21.83 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.588 -0.815 . . . . 10.0 113.877 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -108.98 145.91 34.73 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 117.229 0.514 . . . . 10.0 111.455 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -74.72 160.31 30.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.974 -0.557 . . . . 10.0 111.455 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 38.6 mt -111.74 130.43 55.79 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.486 -0.779 . . . . 10.0 109.657 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -78.32 145.36 35.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.752 0.31 . . . . 10.0 110.984 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.19 -51.83 66.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.846 -0.615 . . . . 10.0 111.967 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.61 50.76 4.46 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 121.067 -0.587 . . . . 10.0 113.647 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 84.2 mmt-85 -135.28 155.96 49.76 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.077 -0.342 . . . . 10.0 110.077 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.57 156.77 16.63 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.29 179.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.2 mt -65.36 -31.16 72.13 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.865 0.364 . . . . 10.0 110.627 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.61 -23.17 62.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.088 -0.506 . . . . 10.0 111.175 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -70.59 -29.8 66.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.939 0.4 . . . . 10.0 110.495 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -96.73 6.57 48.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 58.7 t30 63.21 27.64 15.62 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.49 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 67.8 mt -77.08 98.2 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 110.065 -0.346 . . . . 10.0 110.065 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -84.41 -168.83 2.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.75 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -75.7 147.9 39.03 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.424 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 66.9 25.12 9.53 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.35 -0.841 . . . . 10.0 111.963 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.7 m -88.98 143.94 26.51 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.568 -0.287 . . . . 10.0 110.384 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 18.2 m -93.83 123.83 37.44 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.956 0.408 . . . . 10.0 111.24 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -108.1 148.82 29.28 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.028 -0.731 . . . . 10.0 109.028 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.462 ' CD2' ' HG2' ' D' ' 467' ' ' MET . 37.6 m80 -106.63 126.6 52.48 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.851 0.358 . . . . 10.0 110.625 -179.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 60.6 tp -110.51 100.06 8.94 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.924 0.392 . . . . 10.0 110.25 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.491 ' HB ' ' HB2' ' B' ' 42' ' ' ARG . 90.5 t -83.64 130.23 36.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.5 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 22.7 mt -84.42 151.68 24.5 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.494 -0.558 . . . . 10.0 109.494 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 54.4 ttt-85 -126.22 108.3 11.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.796 0.331 . . . . 10.0 111.609 -178.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.512 HD12 ' HB2' ' D' ' 487' ' ' GLU . 50.8 mt -98.83 56.75 1.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.342 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -108.2 -2.15 19.63 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.605 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.59 -70.33 2.47 Favored Glycine 0 N--CA 1.449 -0.459 0 N-CA-C 111.226 -0.75 . . . . 10.0 111.226 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.904 0 CA-C-O 118.836 -0.98 . . . . 10.0 111.455 179.452 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 453' ' ' SER . . . . . 0.415 ' HB2' ' OG ' ' D' ' 455' ' ' SER . 0.3 OUTLIER . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 120.338 0.113 . . . . 10.0 111.246 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 61.37 27.69 17.27 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.109 0.48 . . . . 10.0 110.668 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 455' ' ' SER . . . . . 0.415 ' OG ' ' HB2' ' D' ' 453' ' ' SER . 0.3 OUTLIER -60.31 -49.53 77.23 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.661 -179.13 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -65.39 -38.63 90.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 10.0 110.646 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.96 -42.67 99.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.504 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -66.02 -41.45 90.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.852 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.35 -45.55 90.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.452 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 58.3 mtm -64.54 -41.43 96.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.64 -37.16 86.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.031 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -57.09 -45.52 83.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.843 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 463' ' ' GLN . . . . . 0.403 ' NE2' ' HA ' ' D' ' 463' ' ' GLN . 9.6 tp60 -58.72 -32.34 69.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.878 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 464' ' ' ILE . . . . . 0.418 HD11 HG12 ' D' ' 486' ' ' VAL . 62.3 mt -77.69 -36.55 22.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.283 179.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 40.3 tp60 -63.35 -32.41 73.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.296 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -69.44 -24.72 63.86 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.924 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . 0.462 ' HG2' ' CD2' ' B' ' 68' ' ' HIS . 66.8 mtm -92.87 -37.54 12.22 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.704 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 468' ' ' PHE . . . . . 0.474 ' O ' HG12 ' D' ' 471' ' ' VAL . 17.6 m-85 -118.22 98.56 51.49 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.084 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 469' ' ' PRO . . . . . 0.4 ' HB2' HG13 ' A' ' 70' ' ' VAL . 73.5 Cg_endo -78.44 -0.17 10.47 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.708 2.272 . . . . 10.0 112.999 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -119.09 28.7 8.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.577 -0.283 . . . . 10.0 111.583 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 471' ' ' VAL . . . . . 0.474 HG12 ' O ' ' D' ' 468' ' ' PHE . 7.7 p -117.72 132.29 23.7 Favored Pre-proline 0 C--N 1.324 -0.501 0 C-N-CA 121.059 -0.256 . . . . 10.0 110.533 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 472' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' D' ' 471' ' ' VAL . 24.3 Cg_exo -65.8 117.75 4.9 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.35 2.033 . . . . 10.0 111.612 178.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 473' ' ' TYR . . . . . 0.529 ' HB3' ' HA2' ' A' ' 47' ' ' GLY . 33.0 t80 -51.86 -42.02 62.32 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.762 -0.654 . . . . 10.0 112.596 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -66.22 -29.99 70.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.558 0.218 . . . . 10.0 111.303 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 475' ' ' LEU . . . . . 0.432 HD12 ' HG2' ' D' ' 472' ' ' PRO . 13.7 mt -74.65 -33.93 62.63 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.744 -0.465 . . . . 10.0 109.744 179.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 476' ' ' VAL . . . . . 0.419 HG23 ' O ' ' D' ' 472' ' ' PRO . 37.1 t -64.99 -41.26 91.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.298 -0.63 . . . . 10.0 109.298 178.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 81.9 mt -64.04 -28.65 69.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.577 -0.738 . . . . 10.0 110.55 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -71.64 -51.3 23.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.376 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 479' ' ' ASP . . . . . 0.491 ' HB3' HG23 ' D' ' 489' ' ' THR . 11.4 t70 -62.03 -37.56 85.38 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.959 -0.385 . . . . 10.0 109.959 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 480' ' ' LEU . . . . . 0.412 ' O ' ' HA ' ' D' ' 484' ' ' ARG . 0.2 OUTLIER -59.82 -22.78 62.7 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.846 -0.615 . . . . 10.0 111.134 179.317 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -91.08 -16.75 27.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.62 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -93.63 -51.86 4.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.959 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 65.1 p -88.49 -38.35 15.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.078 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 484' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' D' ' 480' ' ' LEU . 4.3 mtt180 65.03 31.63 11.02 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.561 -0.745 . . . . 10.0 111.587 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.39 120.96 4.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.202 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 486' ' ' VAL . . . . . 0.569 ' HB ' HD22 ' B' ' 8' ' ' LEU . 6.5 m -62.24 -26.01 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.221 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 487' ' ' GLU . . . . . 0.512 ' HB2' HD12 ' B' ' 73' ' ' LEU . 2.6 mp0 -75.61 0.57 17.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.237 0.541 . . . . 10.0 110.838 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 67.6 mt -121.87 -41.05 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.592 178.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 489' ' ' THR . . . . . 0.491 HG23 ' HB3' ' D' ' 479' ' ' ASP . 81.6 m -57.3 -57.5 12.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 10.0 111.933 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.16 -40.03 80.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.997 0.427 . . . . 10.0 110.954 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -66.99 -43.41 83.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.91 -0.587 . . . . 10.0 110.201 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -54.36 -34.5 61.28 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.453 179.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 493' ' ' ILE . . . . . 0.423 HG13 ' O ' ' D' ' 489' ' ' THR . 54.5 mt -71.13 -45.07 73.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.036 0.446 . . . . 10.0 110.297 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 494' ' ' LEU . . . . . 0.452 HD21 ' HZ ' ' D' ' 468' ' ' PHE . 5.8 mt -66.91 -36.36 82.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.723 -0.672 . . . . 10.0 111.43 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -71.22 -47.2 58.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.526 -0.306 . . . . 10.0 110.467 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 127.69 93.94 0.82 Allowed Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.686 -0.768 . . . . 10.0 112.406 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -159.12 -49.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.912 0.387 . . . . 10.0 110.056 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 1.9 mp -69.37 136.02 27.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.771 -0.649 . . . . 10.0 109.984 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -67.51 126.53 29.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.915 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 34.7 m -79.75 159.59 71.18 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.501 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -72.02 67.91 3.24 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.835 2.357 . . . . 10.0 112.127 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -79.72 129.6 70.51 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.448 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -69.57 112.82 3.15 Favored 'Trans proline' 0 C--O 1.234 0.325 0 C-N-CA 122.449 2.1 . . . . 10.0 111.714 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 12.7 t . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.261 -0.876 . . . . 10.0 109.807 -179.78 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.655 0.264 . . . . 10.0 110.626 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 -106.97 137.34 45.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.407 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.5 pt -125.49 164.82 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.636 -0.256 . . . . 10.0 110.332 178.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -119.68 126.32 50.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.895 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.4 t -116.02 124.07 71.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.491 -0.559 . . . . 10.0 109.491 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.504 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 38.2 ttmt -107.75 127.47 53.72 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.995 0.426 . . . . 10.0 111.69 -178.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.75 176.1 7.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.824 179.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 92.3 mt -65.58 -19.99 66.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.387 -0.37 . . . . 10.0 111.699 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.54 0.12 47.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.799 0.333 . . . . 10.0 111.418 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.33 22.74 62.17 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.688 -0.768 . . . . 10.0 111.611 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.504 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 80.7 tttt -95.81 126.17 40.89 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.209 -0.293 . . . . 10.0 110.209 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -105.1 115.78 30.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.015 0.436 . . . . 10.0 110.799 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.0 mt -104.76 137.72 32.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.524 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.4 m -98.11 127.27 43.96 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.97 -0.382 . . . . 10.0 109.97 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.4 mt -124.05 148.92 46.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.749 0.309 . . . . 10.0 111.435 -179.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -98.07 117.37 32.28 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.357 -0.609 . . . . 10.0 109.357 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.9 m -142.19 173.26 7.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.189 -0.459 . . . . 10.0 110.94 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.497 ' O ' HD12 ' A' ' 56' ' ' LEU . 19.0 mm-40 -130.22 155.16 81.26 Favored Pre-proline 0 C--N 1.321 -0.65 0 N-CA-C 108.861 -0.792 . . . . 10.0 108.861 178.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.18 -30.11 59.58 Favored 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 122.683 2.255 . . . . 10.0 112.965 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 p -81.1 -2.21 47.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.304 -0.407 . . . . 10.0 112.061 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 3.0 t0 -73.45 147.5 44.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.032 0.444 . . . . 10.0 111.106 -179.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.29 146.49 23.67 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.518 -0.765 . . . . 10.0 110.665 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.438 HG12 ' O ' ' A' ' 54' ' ' ARG . 39.1 mm -56.83 -41.2 75.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 10.0 110.856 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -58.71 -38.79 79.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.619 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.4 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 65.5 t30 -69.74 -34.81 74.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.961 0.41 . . . . 10.0 110.416 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.5 t -62.86 -43.11 98.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.505 -0.554 . . . . 10.0 109.505 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -65.53 -34.23 77.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.952 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.43 -35.08 79.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.925 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 89.6 mttt -69.84 -35.61 74.88 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.611 178.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.4 mt -69.12 -35.38 68.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 116.033 -0.53 . . . . 10.0 109.794 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -64.78 -28.23 69.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.769 -0.651 . . . . 10.0 110.643 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -81.6 -21.31 38.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.049 0.452 . . . . 10.0 110.964 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -91.46 -50.28 5.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.709 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -93.59 -41.64 9.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.736 -178.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.5 -2.12 36.89 Favored Glycine 0 C--N 1.321 -0.251 0 C-N-CA 120.652 -0.785 . . . . 10.0 111.54 -178.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 29.4 mt -75.07 129.22 83.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.433 -0.384 . . . . 10.0 110.846 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 23.2 Cg_exo -63.39 145.12 92.32 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.474 2.116 . . . . 10.0 111.837 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 34.2 Cg_exo -60.52 -19.28 58.79 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.72 2.28 . . . . 10.0 112.2 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.09 -28.61 69.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.233 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -109.3 15.05 23.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.683 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -103.32 106.47 16.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.5 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -111.23 102.97 11.35 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.543 -0.54 . . . . 10.0 109.543 178.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.2 mt -86.37 125.67 33.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.197 0.522 . . . . 10.0 111.428 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 56.5 mt -122.16 124.55 71.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.147 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -109.52 102.62 11.47 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.863 0.363 . . . . 10.0 110.889 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.78 32.41 21.86 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.569 -0.742 . . . . 10.0 112.326 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.75 -20.99 43.96 Favored Glycine 0 C--O 1.229 -0.211 0 C-N-CA 120.601 -0.809 . . . . 10.0 112.415 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.8 mtmt -92.73 111.87 23.63 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.147 -0.316 . . . . 10.0 110.147 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.52 136.01 50.84 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.092 -0.336 . . . . 10.0 110.092 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.408 HD13 HD12 ' A' ' 23' ' ' ILE . 22.1 mt -87.79 144.91 26.36 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.763 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.503 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 0.4 OUTLIER -102.2 137.67 40.16 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.457 -0.572 . . . . 10.0 109.457 179.089 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -49.06 -45.52 43.11 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.02 0.748 . . . . 10.0 113.02 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.12 33.74 3.11 Favored Glycine 0 CA--C 1.52 0.393 0 C-N-CA 121.056 -0.592 . . . . 10.0 114.186 -178.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.503 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 22.0 mmt180 -127.26 165.13 20.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 117.159 0.48 . . . . 10.0 110.068 179.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.467 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 58.7 p -107.48 169.44 8.58 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.56 -0.291 . . . . 10.0 110.576 179.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 18' ' ' GLU . 95.9 mt -67.08 -29.29 69.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.157 0.503 . . . . 10.0 110.183 179.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.4 m -73.15 -17.77 61.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.741 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.467 ' HB2' ' O ' ' A' ' 55' ' ' THR . 2.6 m-20 -68.17 -28.19 67.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.994 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -112.08 5.85 18.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.758 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 t30 60.13 48.81 7.99 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.689 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 82.0 mt -86.73 111.18 21.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.749 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -91.54 -171.89 3.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.85 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.4 pttt -74.17 151.09 40.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 68.05 18.16 9.46 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.709 -0.678 . . . . 10.0 112.394 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.6 m -78.98 147.48 32.92 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.911 -0.316 . . . . 10.0 110.166 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 m -105.59 118.54 36.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.133 0.492 . . . . 10.0 111.324 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -105.75 144.36 32.6 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.646 -0.706 . . . . 10.0 109.285 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -104.09 133.7 48.58 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 110.108 -0.33 . . . . 10.0 110.108 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.0 tp -112.59 112.38 23.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.957 0.408 . . . . 10.0 110.908 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.6 t -105.11 136.6 38.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.936 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 71.8 mt -93.11 138.74 31.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.654 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -110.46 98.27 7.52 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.923 0.392 . . . . 10.0 110.851 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 79.7 mt -94.42 130.07 40.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.468 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.64 174.69 10.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.625 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 111.99 -41.04 2.34 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.898 -0.668 . . . . 10.0 111.852 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.001 0 CA-C-O 117.925 -1.486 . . . . 10.0 110.709 179.86 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptt? . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 120.616 0.246 . . . . 10.0 110.449 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -98.97 128.44 45.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.64 -0.255 . . . . 10.0 110.433 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 36.9 pt -117.66 164.04 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.151 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.41 ' O ' ' HA ' ' B' ' 66' ' ' THR . 85.8 m-85 -123.56 121.91 36.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.036 0.446 . . . . 10.0 111.117 -179.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 84.4 t -100.5 119.76 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.15 -0.477 . . . . 10.0 109.778 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 10.1 tttp -97.46 127.65 43.6 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.143 0.497 . . . . 10.0 110.769 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.95 156.5 17.97 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.609 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 56.8 mt -64.43 -14.22 55.6 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.881 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.04 10.0 20.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.156 -0.475 . . . . 10.0 111.216 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.17 42.93 49.32 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.665 -0.779 . . . . 10.0 111.276 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 32.4 tttp -120.02 145.0 47.23 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.629 -0.285 . . . . 10.0 110.453 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -125.96 96.49 4.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.01 0.433 . . . . 10.0 110.512 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 53.7 mt -85.89 135.99 23.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.468 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 3.6 m -100.48 122.2 42.81 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.206 -0.294 . . . . 10.0 110.206 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 53.3 mt -115.08 135.97 53.63 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.219 0.533 . . . . 10.0 111.246 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -97.05 101.27 12.8 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.386 -0.825 . . . . 10.0 108.915 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 6.8 m -134.81 175.04 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.152 0.501 . . . . 10.0 111.63 -178.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.494 ' O ' HD12 ' B' ' 56' ' ' LEU . 25.2 mm-40 -127.32 154.27 77.1 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.439 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 53.1 Cg_exo -54.64 -27.92 53.6 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.739 2.293 . . . . 10.0 113.01 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.37 -12.59 60.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.103 -0.498 . . . . 10.0 112.02 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -75.28 152.55 38.23 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.898 0.38 . . . . 10.0 110.325 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.492 ' O ' HG23 ' B' ' 26' ' ' VAL . 18.1 p -96.73 152.04 19.06 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.159 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 41.7 mm -55.55 -40.03 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.43 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -58.96 -43.12 91.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.609 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -71.28 -24.71 62.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.587 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.492 HG23 ' O ' ' B' ' 22' ' ' THR . 94.6 t -72.7 -43.55 61.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 178.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.421 ' HD2' ' HB2' ' B' ' 41' ' ' GLN . 49.3 mtmt -62.91 -34.05 76.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.506 179.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.16 -33.87 75.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.672 179.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -69.82 -36.8 75.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.937 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 56.8 mt -69.38 -32.64 54.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 109.284 -0.635 . . . . 10.0 109.284 178.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.416 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 53.0 tt0 -69.22 -32.35 71.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.509 -0.769 . . . . 10.0 109.977 178.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -74.27 -40.54 62.25 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.562 179.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -73.47 -62.41 1.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.95 -0.568 . . . . 10.0 112.461 -179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -83.41 -46.37 12.61 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.261 0.467 . . . . 10.0 112.261 -178.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 108.98 9.48 26.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.468 -0.872 . . . . 10.0 112.169 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.0 mt -84.11 126.08 70.89 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 110.471 -0.196 . . . . 10.0 110.471 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 52.2 Cg_exo -54.71 139.31 77.1 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.791 2.328 . . . . 10.0 112.115 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 24.3 Cg_exo -61.73 -17.2 53.45 Favored 'Trans proline' 0 CA--C 1.533 0.436 0 C-N-CA 122.773 2.316 . . . . 10.0 112.758 -179.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -69.96 -33.22 71.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.1 0.476 . . . . 10.0 110.68 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -92.39 -4.34 53.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.689 -0.687 . . . . 10.0 110.68 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.421 ' HB2' ' HD2' ' B' ' 27' ' ' LYS . 68.2 mt-30 -87.47 103.38 15.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.425 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -107.76 100.5 9.87 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.566 -0.531 . . . . 10.0 109.566 178.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 75.5 mt -86.99 124.47 33.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.043 0.449 . . . . 10.0 111.281 -179.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mp -118.37 134.43 61.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.646 -0.706 . . . . 10.0 109.955 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.663 ' HB3' HD21 ' B' ' 50' ' ' LEU . 59.9 t80 -131.45 126.33 34.78 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.085 -0.507 . . . . 10.0 109.71 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.31 23.45 13.68 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.745 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.93 9.41 67.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.854 -0.688 . . . . 10.0 113.057 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -125.31 143.63 50.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.666 0.233 . . . . 10.0 110.389 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -80.4 145.13 32.14 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.85 0.357 . . . . 10.0 110.838 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.663 HD21 ' HB3' ' B' ' 45' ' ' PHE . 13.4 mt -98.63 143.09 29.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.069 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.402 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 34.4 mt-10 -91.86 148.28 22.34 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.01 -0.367 . . . . 10.0 110.01 179.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.38 -50.83 72.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.057 -0.52 . . . . 10.0 112.053 -179.18 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.17 54.0 4.82 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 121.179 -0.534 . . . . 10.0 113.392 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.402 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 37.1 mmt180 -141.61 158.86 43.3 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.655 -0.498 . . . . 10.0 109.655 179.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.448 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 76.5 p -99.77 163.51 12.44 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.72 -0.474 . . . . 10.0 109.72 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.494 HD12 ' O ' ' B' ' 18' ' ' GLU . 89.4 mt -64.5 -32.12 73.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.1 0.476 . . . . 10.0 110.149 179.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.65 -23.79 63.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.791 -0.64 . . . . 10.0 111.361 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' B' ' 55' ' ' THR . 3.8 m-20 -62.27 -38.3 88.78 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.967 0.413 . . . . 10.0 111.551 -179.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -99.12 12.88 34.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.726 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 59.87 36.3 21.87 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.064 0.459 . . . . 10.0 110.913 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 81.7 mt -77.26 124.39 35.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.402 -0.592 . . . . 10.0 109.402 179.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -113.2 -170.79 1.75 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.27 0.557 . . . . 10.0 111.722 -178.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 44.9 pttt -68.97 145.18 53.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.391 -0.822 . . . . 10.0 110.753 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 63.15 14.98 8.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.584 -0.734 . . . . 10.0 112.976 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 73.1 m -78.25 144.96 35.74 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 4.5 m -94.18 126.63 39.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.292 0.568 . . . . 10.0 112.286 -178.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 mp -107.44 115.89 30.96 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.673 -0.862 . . . . 10.0 108.673 178.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.5 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 42.7 m80 -79.39 120.63 24.09 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.722 0.296 . . . . 10.0 110.732 -179.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 54.4 tp -98.99 105.39 17.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.889 0.376 . . . . 10.0 110.586 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.445 HG13 ' HB ' ' D' ' 490' ' ' THR . 93.6 t -92.63 131.88 38.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.134 179.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 46.0 mt -97.01 109.99 22.63 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.111 -0.329 . . . . 10.0 110.111 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.42 ' HA ' ' CG ' ' D' ' 491' ' ' ASP . 12.9 ttm180 -87.56 133.75 33.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.382 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.3 mp -129.91 54.28 1.86 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.229 0.537 . . . . 10.0 110.959 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.568 ' HG2' ' OD2' ' D' ' 491' ' ' ASP . 2.9 mmp_? -112.17 57.09 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.018 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 111.76 -146.43 17.94 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.597 -0.811 . . . . 10.0 112.409 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.436 -1.202 . . . . 10.0 111.81 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.476 0.851 0 CA-C-O 120.551 0.215 . . . . 10.0 110.508 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 57.94 26.72 13.73 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.207 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.91 -53.72 19.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.332 -179.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -68.52 -34.52 76.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 10.0 110.904 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 74.7 mt -63.31 -46.86 84.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.033 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 -63.68 -40.28 96.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.055 -0.521 . . . . 10.0 110.724 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.27 -45.89 91.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.847 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 71.6 mtm -66.24 -35.73 81.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.649 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.92 -34.23 77.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.486 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 61.4 t60 -60.62 -37.81 82.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.079 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -63.66 -34.55 78.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.655 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 72.1 mt -74.74 -33.03 29.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.32 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -65.59 -22.0 66.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.999 0.428 . . . . 10.0 110.329 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -77.39 -20.81 54.12 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.969 -0.559 . . . . 10.0 109.893 178.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . 0.5 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 35.2 mmm -96.8 -48.04 5.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.534 -0.757 . . . . 10.0 110.083 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 468' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -124.57 91.87 48.81 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.761 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -85.96 20.21 1.27 Allowed 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.424 2.082 . . . . 10.0 112.039 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -118.76 18.95 13.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.2 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 471' ' ' VAL . . . . . . . . . . . . . 7.5 p -126.75 128.71 24.21 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 109.965 -0.384 . . . . 10.0 109.965 179.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 472' ' ' PRO . . . . . 0.463 ' HB3' ' CE1' ' D' ' 474' ' ' HIS . 52.2 Cg_exo -53.97 127.12 24.34 Favored 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 122.823 2.349 . . . . 10.0 113.128 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -51.23 -44.84 61.76 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.414 -0.812 . . . . 10.0 112.101 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 474' ' ' HIS . . . . . 0.463 ' CE1' ' HB3' ' D' ' 472' ' ' PRO . 26.9 p-80 -63.22 -30.28 71.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.816 -179.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 475' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' D' ' 475' ' ' LEU . 28.9 mt -78.58 -33.28 47.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.678 0.275 . . . . 10.0 110.289 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 476' ' ' VAL . . . . . 0.416 HG23 ' O ' ' D' ' 472' ' ' PRO . 59.9 t -63.83 -42.43 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.285 0.564 . . . . 10.0 109.505 178.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 57.3 mt -61.89 -24.8 67.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.357 -0.838 . . . . 10.0 111.504 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -63.76 -46.65 84.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.48 -0.327 . . . . 10.0 111.008 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 479' ' ' ASP . . . . . 0.527 ' HB2' HD11 ' D' ' 498' ' ' ILE . 13.0 t70 -70.15 -30.89 68.15 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.729 -0.471 . . . . 10.0 109.729 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -64.92 -25.01 67.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.28 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -91.42 -1.09 57.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.975 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.14 -58.38 2.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.624 -0.716 . . . . 10.0 110.949 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 483' ' ' THR . . . . . 0.406 ' O ' ' HB2' ' D' ' 484' ' ' ARG . 82.7 p -90.93 -36.41 14.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.864 0.364 . . . . 10.0 111.173 -179.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 484' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' D' ' 483' ' ' THR . 8.1 mpt_? 68.93 22.87 6.91 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.607 -0.724 . . . . 10.0 110.315 -179.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.84 116.06 7.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.282 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 29.3 m -55.81 -25.76 19.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.948 -0.569 . . . . 10.0 112.505 -178.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -60.1 -58.77 7.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 6.6 mt -70.19 -24.52 26.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.128 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 489' ' ' THR . . . . . 0.526 HG23 ' HB3' ' D' ' 479' ' ' ASP . 93.3 m -63.79 -55.96 19.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.97 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 490' ' ' THR . . . . . 0.445 ' HB ' HG13 ' B' ' 70' ' ' VAL . 1.5 m -61.6 -32.19 72.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.341 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 491' ' ' ASP . . . . . 0.568 ' OD2' ' HG2' ' B' ' 74' ' ' ARG . 35.4 t0 -67.78 -49.66 61.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.218 -0.901 . . . . 10.0 109.494 178.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -57.85 -36.57 72.5 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.832 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 493' ' ' ILE . . . . . 0.435 HG13 ' O ' ' D' ' 489' ' ' THR . 88.2 mt -62.41 -44.91 99.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 121.101 0.477 . . . . 10.0 110.019 179.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.12 -29.33 68.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.865 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -73.66 -41.18 63.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.98 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 126.65 25.43 1.26 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.394 -0.908 . . . . 10.0 112.9 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -74.36 -64.94 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.562 -0.533 . . . . 10.0 109.562 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 498' ' ' ILE . . . . . 0.527 HD11 ' HB2' ' D' ' 479' ' ' ASP . 4.4 mp -78.74 125.31 38.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.405 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -71.6 126.05 28.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.971 0.415 . . . . 10.0 110.638 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 15.4 m -74.65 160.23 81.48 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -57.4 110.12 0.56 Allowed 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.893 2.395 . . . . 10.0 112.623 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -118.2 131.47 24.18 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.229 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -68.31 84.15 0.47 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.553 2.169 . . . . 10.0 112.151 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 11.5 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.832 -0.604 . . . . 10.0 110.452 -179.583 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.456 ' HB2' ' HB3' ' A' ' 63' ' ' LYS . 26.6 ptt? . . . . . 0 N--CA 1.477 0.91 0 N-CA-C 110.251 -0.277 . . . . 10.0 110.251 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -108.0 146.56 32.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.913 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.1 pt -132.19 162.75 39.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.021 178.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.456 ' O ' ' HA ' ' A' ' 66' ' ' THR . 86.5 m-85 -118.02 107.41 14.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.752 0.311 . . . . 10.0 110.903 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 13' ' ' ILE . 50.0 t -96.94 117.19 41.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.844 -0.428 . . . . 10.0 109.844 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 17.8 mttp -103.09 121.74 43.22 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.288 0.566 . . . . 10.0 111.603 -179.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.65 162.93 16.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.5 -0.773 . . . . 10.0 110.393 179.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.416 HD11 HG13 ' A' ' 70' ' ' VAL . 65.8 mt -57.27 -28.91 63.4 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.774 0.321 . . . . 10.0 111.853 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.56 4.12 12.01 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.185 0.439 . . . . 10.0 112.185 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.08 40.31 25.17 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.69 -0.767 . . . . 10.0 111.805 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 44.5 tttp -113.04 125.23 54.16 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.904 -0.148 . . . . 10.0 110.707 -179.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.4 m -100.86 111.61 23.87 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.926 0.393 . . . . 10.0 110.2 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 5' ' ' VAL . 0.7 OUTLIER -99.57 123.6 52.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.87 -179.512 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.28 110.11 20.92 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.756 -0.461 . . . . 10.0 109.756 178.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.461 HD11 HG12 ' A' ' 30' ' ' ILE . 83.1 mt -115.53 143.9 44.65 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.089 0.471 . . . . 10.0 111.694 -178.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -95.02 121.86 37.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.381 -0.827 . . . . 10.0 109.445 179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.5 m -143.84 -179.31 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.918 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -141.88 155.17 66.06 Favored Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 108.565 -0.902 . . . . 10.0 108.565 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.06 -32.57 69.72 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.339 2.026 . . . . 10.0 112.927 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.46 7.23 20.45 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.204 0.446 . . . . 10.0 112.204 -179.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -85.61 139.89 31.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.752 0.31 . . . . 10.0 110.252 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.51 144.45 31.32 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.743 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.7 mm -56.87 -39.47 65.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.109 0.48 . . . . 10.0 110.056 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -56.73 -38.61 72.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.266 -0.879 . . . . 10.0 110.66 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -67.78 -37.23 81.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.022 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.407 ' O ' HG13 ' A' ' 30' ' ' ILE . 40.3 t -63.67 -39.76 86.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.911 -0.586 . . . . 10.0 109.854 179.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -60.44 -40.19 90.22 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.433 0.635 . . . . 10.0 109.969 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.11 -35.67 80.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.421 -0.808 . . . . 10.0 110.558 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.01 -36.84 85.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.165 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.461 HG12 HD11 ' A' ' 15' ' ' LEU . 59.5 mt -73.15 -32.8 40.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 121.433 0.635 . . . . 10.0 109.77 178.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -64.28 -39.51 94.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.379 -0.828 . . . . 10.0 110.629 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -72.96 -15.54 61.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.04 0.448 . . . . 10.0 111.014 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -87.66 -69.99 0.65 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.206 0.447 . . . . 10.0 112.206 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -94.06 -6.9 44.11 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.695 0.628 . . . . 10.0 112.695 -177.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.33 28.63 59.6 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.362 -0.923 . . . . 10.0 112.126 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.7 mt -93.9 122.38 62.19 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 110.309 -0.256 . . . . 10.0 110.309 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 42.7 Cg_exo -56.37 131.1 43.69 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.478 2.119 . . . . 10.0 111.901 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 51.5 Cg_exo -54.86 -33.3 81.2 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 123.168 2.579 . . . . 10.0 113.174 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -67.02 -20.33 65.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.186 0.517 . . . . 10.0 111.066 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -103.06 8.82 38.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.935 0.398 . . . . 10.0 110.614 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -101.24 129.43 47.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.112 -0.494 . . . . 10.0 110.75 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.445 ' HB3' ' HB ' ' A' ' 70' ' ' VAL . 32.8 ttt180 -126.51 98.38 5.39 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.661 -0.496 . . . . 10.0 109.661 178.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 65.9 mt -87.32 131.14 34.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.88 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 74.9 mt -125.43 133.71 68.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.526 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.405 ' HB3' HD21 ' A' ' 50' ' ' LEU . 80.7 t80 -126.93 115.88 19.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.106 -0.497 . . . . 10.0 109.846 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.18 23.46 13.66 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.861 -0.609 . . . . 10.0 112.215 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.21 -4.13 64.67 Favored Glycine 0 CA--C 1.517 0.199 0 C-N-CA 120.779 -0.724 . . . . 10.0 112.868 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -105.66 138.98 40.95 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.969 -0.382 . . . . 10.0 109.969 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -82.18 141.06 33.36 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.232 -0.284 . . . . 10.0 110.232 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.405 HD21 ' HB3' ' A' ' 45' ' ' PHE . 21.4 mt -93.3 128.67 39.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.608 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -88.71 144.84 26.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.458 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -63.95 -27.28 69.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.405 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.77 33.56 4.77 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.624 -0.798 . . . . 10.0 112.97 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.8 mmt-85 -132.7 162.29 31.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.816 0.308 . . . . 10.0 110.328 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.652 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 0.2 OUTLIER -98.34 164.57 12.24 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.834 -0.432 . . . . 10.0 109.834 179.491 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 23.1 mt -64.46 -39.04 93.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.916 0.388 . . . . 10.0 111.305 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 p -69.05 -16.09 63.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.041 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.652 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.0 OUTLIER -62.83 -31.66 72.71 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.093 0.473 . . . . 10.0 110.726 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -107.68 16.53 23.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.996 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.9 t30 62.66 26.27 15.57 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.231 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.6 mt -76.47 113.22 15.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.064 0.459 . . . . 10.0 110.244 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -108.68 -160.6 0.73 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.732 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.456 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 17.3 pttp -76.15 148.16 38.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.974 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 60.76 43.26 12.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.767 -0.651 . . . . 10.0 111.537 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.1 m -106.1 143.23 34.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.973 -0.558 . . . . 10.0 109.506 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 18.4 m -98.4 125.57 43.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.007 0.432 . . . . 10.0 111.203 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 mp -115.05 145.73 42.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.596 -0.729 . . . . 10.0 109.479 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -98.56 134.39 41.58 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.562 0.22 . . . . 10.0 110.467 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.8 tp -116.17 105.26 12.38 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.003 0.43 . . . . 10.0 110.832 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.445 ' HB ' ' HB3' ' A' ' 42' ' ' ARG . 42.2 t -97.05 133.32 39.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.728 179.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 66.4 mt -86.26 124.15 32.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.793 0.33 . . . . 10.0 111.091 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 -96.09 109.85 22.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.007 -0.542 . . . . 10.0 109.972 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 30.0 mt -107.84 141.49 39.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.043 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -122.89 18.83 10.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.365 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.52 12.25 54.23 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.829 -0.623 . . . . 10.0 112.665 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.174 0 CA-C-O 118.722 -1.043 . . . . 10.0 112.399 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.486 1.342 0 N-CA-C 109.886 -0.413 . . . . 10.0 109.886 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -119.15 152.09 37.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.03 0.443 . . . . 10.0 111.505 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 19.3 pt -130.62 162.03 39.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.533 -0.758 . . . . 10.0 110.064 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.49 ' O ' ' HA ' ' B' ' 66' ' ' THR . 80.1 m-85 -107.71 117.01 32.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.74 0.305 . . . . 10.0 110.908 -179.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 46.7 t -99.57 118.51 46.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.803 -0.443 . . . . 10.0 109.803 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -102.59 132.95 48.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.026 0.441 . . . . 10.0 111.049 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.89 154.23 22.42 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.552 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 61.7 mt -61.51 -20.22 62.96 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.764 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.51 4.14 22.32 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.597 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.12 46.43 10.33 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.717 -0.754 . . . . 10.0 111.436 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 13.4 tttp -126.18 141.15 52.05 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.081 -0.34 . . . . 10.0 110.081 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.6 m -125.44 115.47 20.32 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.329 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 22.2 mt -113.25 132.65 61.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.527 -0.306 . . . . 10.0 110.798 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.25 122.61 41.62 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.821 0.344 . . . . 10.0 110.178 178.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 66.0 mt -119.93 146.39 45.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.427 -0.351 . . . . 10.0 111.54 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -86.49 120.38 27.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.863 -0.608 . . . . 10.0 109.464 178.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 14.6 m -134.48 174.4 13.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.013 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.402 ' H ' ' HB2' ' B' ' 21' ' ' ASP . 6.5 mm-40 -130.81 160.04 68.41 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.273 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -62.44 -22.66 74.35 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.252 1.968 . . . . 10.0 112.006 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.67 9.95 42.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.939 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.402 ' HB2' ' H ' ' B' ' 18' ' ' GLU . 15.5 t0 -77.11 141.1 40.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.005 0.431 . . . . 10.0 110.723 -179.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 16.3 m -94.87 144.52 25.59 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.646 -0.706 . . . . 10.0 110.704 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.546 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 45.5 mm -53.88 -41.49 49.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.455 -0.339 . . . . 10.0 110.698 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -57.39 -39.72 76.7 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.647 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -67.44 -37.18 82.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.114 -0.494 . . . . 10.0 109.68 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 67.1 t -64.1 -39.19 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.87 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' B' ' 23' ' ' ILE . 9.9 mmmm -60.0 -41.39 91.98 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.838 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.66 -35.96 82.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.298 -0.864 . . . . 10.0 110.787 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.12 -46.25 84.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.344 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 61.8 mt -64.44 -36.92 78.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-O 121.294 0.569 . . . . 10.0 110.161 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -61.97 -38.25 87.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.751 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -77.19 -16.03 59.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.463 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -93.62 -62.26 1.39 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.909 0.337 . . . . 10.0 111.909 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -87.93 -21.22 25.04 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.648 0.61 . . . . 10.0 112.648 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.24 37.29 15.41 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.296 -0.954 . . . . 10.0 112.56 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.4 mt -114.33 126.32 28.13 Favored Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 109.967 -0.383 . . . . 10.0 109.967 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.517 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 50.2 Cg_exo -53.42 139.55 64.94 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.819 2.346 . . . . 10.0 112.568 179.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.517 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 16.7 Cg_exo -67.37 -5.75 14.71 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.295 2.663 . . . . 10.0 113.725 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -78.82 -43.43 25.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.059 0.457 . . . . 10.0 110.933 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.425 ' OE1' ' HB2' ' B' ' 37' ' ' PRO . 22.8 mp0 -82.53 -7.1 59.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.981 -0.554 . . . . 10.0 111.076 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -81.11 109.71 15.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.019 -0.537 . . . . 10.0 112.231 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -107.63 108.19 19.34 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.73 -0.841 . . . . 10.0 108.73 177.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 42.0 mt -90.31 119.36 30.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.904 0.383 . . . . 10.0 111.27 -178.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mp -116.33 142.2 30.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.901 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -134.38 108.86 8.41 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.297 -0.411 . . . . 10.0 110.09 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.65 19.34 11.27 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.852 -0.613 . . . . 10.0 112.205 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.28 -14.64 33.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.697 -0.763 . . . . 10.0 113.167 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -104.91 138.31 41.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.674 0.237 . . . . 10.0 110.369 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.409 HE21 ' HB3' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -81.58 144.21 31.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.8 0.333 . . . . 10.0 110.436 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 23.4 mt -95.12 126.68 40.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.957 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.528 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 17.6 mt-10 -73.71 138.25 44.54 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.878 -0.786 . . . . 10.0 108.878 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.32 -42.0 81.03 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.399 0.518 . . . . 10.0 112.399 -178.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.52 47.09 3.75 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.616 -0.802 . . . . 10.0 113.804 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.528 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 28.6 mmt180 -132.51 165.31 24.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.845 0.355 . . . . 10.0 110.353 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.4 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 1.8 m -97.74 156.73 16.43 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.925 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 55.0 mt -59.99 -48.25 82.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.987 0.422 . . . . 10.0 110.935 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.0 m -70.33 -7.93 46.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.588 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' B' ' 55' ' ' THR . 0.5 OUTLIER -69.81 -33.5 72.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.232 0.539 . . . . 10.0 109.569 179.324 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -100.17 14.7 29.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.444 -0.798 . . . . 10.0 110.396 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 65.52 24.28 11.82 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.466 -0.788 . . . . 10.0 111.4 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 86.4 mt -71.08 123.43 25.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.057 0.456 . . . . 10.0 109.813 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -110.75 -167.03 1.13 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.273 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -74.31 151.99 39.71 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.587 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 64.02 15.61 9.34 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.558 0.577 . . . . 10.0 112.558 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 40.0 m -75.32 146.24 41.12 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.071 -0.344 . . . . 10.0 110.071 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.49 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 4.5 m -99.44 117.36 33.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.074 0.464 . . . . 10.0 111.339 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.5 mp -99.71 128.84 45.8 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.628 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.53 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 41.1 m80 -89.91 114.31 26.08 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.485 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.0 tp -96.83 108.03 20.63 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.911 0.386 . . . . 10.0 110.654 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 90.2 t -102.22 128.08 55.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.218 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 79.8 mt -104.56 125.51 50.77 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.18 156.79 17.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.206 0.526 . . . . 10.0 111.481 -179.051 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 4.9 mp -126.52 110.17 12.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.864 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 39.5 ptt85 -116.17 16.84 15.9 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.945 0.402 . . . . 10.0 110.703 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.39 -8.24 60.32 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.29 -0.724 . . . . 10.0 111.29 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.194 0 CA-C-O 118.101 -1.388 . . . . 10.0 111.082 179.82 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 120.472 0.177 . . . . 10.0 110.852 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 68.7 16.5 8.97 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.343 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.09 -45.75 87.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.75 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -67.95 -37.56 81.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.517 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 57.6 mt -66.32 -41.95 88.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.689 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -64.75 -40.17 94.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.068 0.461 . . . . 10.0 110.47 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -67.4 -42.35 83.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.622 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 37.1 mtm -65.65 -39.55 91.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.9 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.87 -37.64 85.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.742 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 462' ' ' HIS . . . . . 0.474 ' O ' ' HG3' ' D' ' 466' ' ' GLU . 69.0 t60 -58.25 -44.4 88.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.107 179.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 463' ' ' GLN . . . . . 0.485 ' O ' ' HG2' ' D' ' 467' ' ' MET . 26.4 tp60 -60.06 -40.58 89.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.657 -0.701 . . . . 10.0 110.883 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 464' ' ' ILE . . . . . 0.463 HD11 ' HA ' ' D' ' 486' ' ' VAL . 69.7 mt -72.4 -40.02 63.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.075 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 43.0 tp60 -59.43 -28.17 66.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.755 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' D' ' 462' ' ' HIS . 22.3 mt-10 -76.3 -21.27 56.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.663 179.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . 0.53 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 34.9 mmm -89.41 -33.46 16.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.443 0.639 . . . . 10.0 109.754 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 468' ' ' PHE . . . . . 0.416 ' O ' HG12 ' D' ' 471' ' ' VAL . 4.6 m-85 -128.37 85.11 61.27 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.627 -0.715 . . . . 10.0 110.741 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -82.76 31.24 0.52 Allowed 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.72 2.28 . . . . 10.0 112.397 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -135.15 14.45 3.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.083 -179.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 471' ' ' VAL . . . . . 0.416 HG12 ' O ' ' D' ' 468' ' ' PHE . 10.5 p -121.17 132.42 24.22 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.351 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 472' ' ' PRO . . . . . 0.456 ' HB3' ' CE1' ' D' ' 474' ' ' HIS . 58.1 Cg_exo -53.16 120.71 8.15 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.687 2.258 . . . . 10.0 112.432 179.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -54.8 -37.5 66.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.332 -0.849 . . . . 10.0 112.614 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 474' ' ' HIS . . . . . 0.456 ' CE1' ' HB3' ' D' ' 472' ' ' PRO . 49.5 p-80 -65.7 -27.82 68.62 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 121.051 -0.26 . . . . 10.0 111.491 -179.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 74.6 mt -79.08 -32.52 44.73 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.923 -0.399 . . . . 10.0 109.923 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 51.6 t -64.66 -42.73 95.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.466 0.651 . . . . 10.0 109.487 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 47.1 mt -63.79 -25.88 68.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.764 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.04 -47.1 66.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.344 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -67.44 -32.58 73.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.344 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.29 -24.33 66.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.714 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -95.91 3.46 53.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.462 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -112.62 -54.81 2.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.238 -179.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 67.3 p -92.79 -39.92 10.96 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.836 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 65.35 35.86 7.27 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.449 -0.796 . . . . 10.0 111.354 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 1.7 t -147.79 123.4 10.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.997 -0.547 . . . . 10.0 109.828 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 486' ' ' VAL . . . . . 0.463 ' HA ' HD11 ' D' ' 464' ' ' ILE . 15.6 m -60.61 -32.98 52.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.975 0.417 . . . . 10.0 111.124 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -68.03 -47.93 67.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.664 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 488' ' ' ILE . . . . . 0.42 ' O ' ' HB2' ' D' ' 492' ' ' ASN . 61.2 mt -71.99 -43.52 67.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.762 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 52.0 m -54.88 -51.98 64.27 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.109 0.411 . . . . 10.0 112.109 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 4.2 m -60.74 -41.93 96.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.601 -178.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -70.89 -36.91 72.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.963 0.411 . . . . 10.0 110.49 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 492' ' ' ASN . . . . . 0.443 ' ND2' ' HG2' ' D' ' 497' ' ' ARG . 5.3 t30 -56.1 -41.96 76.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.659 -0.7 . . . . 10.0 109.463 178.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 75.1 mt -67.12 -40.71 85.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.723 -0.672 . . . . 10.0 110.03 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -37.36 85.11 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.97 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -71.75 -21.12 61.79 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.136 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 101.94 26.93 7.25 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.7 -0.762 . . . . 10.0 112.939 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 497' ' ' ARG . . . . . 0.443 ' HG2' ' ND2' ' D' ' 492' ' ' ASN . 17.1 tpp180 -72.69 -43.0 63.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.31 0.576 . . . . 10.0 109.891 179.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 2.6 mp -96.14 130.93 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-N 115.221 -0.9 . . . . 10.0 108.94 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -67.56 126.53 29.63 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.051 0.453 . . . . 10.0 111.329 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 30.1 m -78.79 161.58 68.45 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.453 -0.794 . . . . 10.0 109.5 178.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.93 102.25 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.701 2.268 . . . . 10.0 112.371 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -97.28 131.65 27.0 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.56 -0.745 . . . . 10.0 110.16 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -63.34 93.78 0.16 Allowed 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.777 2.318 . . . . 10.0 112.587 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 13.9 t . . . . . 0 C--O 1.252 1.202 0 CA-C-O 118.058 -0.972 . . . . 10.0 109.585 179.555 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 110.178 -0.304 . . . . 10.0 110.178 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -108.55 144.6 36.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.796 0.332 . . . . 10.0 111.322 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.4 pt -130.72 162.37 38.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.857 -0.611 . . . . 10.0 109.446 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -117.34 109.95 17.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.675 0.274 . . . . 10.0 110.723 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 49.4 t -98.14 116.67 41.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.002 0.429 . . . . 10.0 110.02 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -99.5 125.99 45.35 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.011 0.434 . . . . 10.0 111.222 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.567 HG22 HD23 ' A' ' 69' ' ' LEU . 21.5 p -93.08 149.12 21.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.253 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.6 mt -65.74 -13.65 59.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 10.0 111.055 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.63 -24.89 58.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.751 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.7 44.28 1.15 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.75 -0.738 . . . . 10.0 112.789 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -142.47 138.13 30.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.778 0.323 . . . . 10.0 111.074 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.9 123.91 45.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.106 -0.497 . . . . 10.0 109.968 178.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.4 mt -105.8 134.98 45.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.993 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.28 128.61 45.42 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.625 178.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.6 mt -131.85 134.7 46.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.015 0.435 . . . . 10.0 111.719 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.3 102.29 14.96 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.461 -0.94 . . . . 10.0 108.461 178.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.9 m -127.32 -179.31 2.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.151 -0.477 . . . . 10.0 111.023 -178.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.491 ' O ' HD12 ' A' ' 56' ' ' LEU . 8.3 mm-40 -143.23 161.03 49.91 Favored Pre-proline 0 C--N 1.321 -0.657 0 N-CA-C 108.996 -0.742 . . . . 10.0 108.996 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -56.04 -26.18 58.04 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.342 2.028 . . . . 10.0 112.927 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -88.8 8.04 31.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.758 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -85.53 140.49 30.6 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.962 -0.384 . . . . 10.0 109.962 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.481 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.8 p -94.11 152.05 19.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.653 -179.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.6 mm -58.51 -35.6 55.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.002 0.43 . . . . 10.0 110.026 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -41.84 98.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.19 178.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -69.65 -37.81 76.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.433 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 22' ' ' THR . 95.5 t -63.23 -39.34 84.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.889 178.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.408 ' HB3' ' HB3' ' A' ' 38' ' ' PRO . 80.9 mttt -60.25 -41.96 94.3 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.763 179.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.62 -34.34 76.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.394 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -68.38 -36.24 78.88 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.329 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 68.1 mt -70.04 -35.48 64.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.43 -0.582 . . . . 10.0 109.43 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.502 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 22.0 tt0 -69.32 -26.4 64.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.592 -0.731 . . . . 10.0 109.845 179.003 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -77.17 -38.99 50.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.567 -0.742 . . . . 10.0 111.167 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -87.02 -57.79 2.83 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.751 0.648 . . . . 10.0 112.751 -178.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -86.55 -23.36 25.86 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.274 0.472 . . . . 10.0 112.274 -177.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.502 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 82.12 15.05 75.62 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.355 -0.926 . . . . 10.0 113.1 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.0 mt -85.54 123.15 73.11 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 110.304 -0.258 . . . . 10.0 110.304 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -55.73 131.43 46.05 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.683 2.255 . . . . 10.0 112.239 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.408 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 50.0 Cg_exo -55.74 -26.31 55.86 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 123.09 2.527 . . . . 10.0 112.489 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -69.04 -18.89 64.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.563 -0.744 . . . . 10.0 111.333 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -109.21 5.35 23.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.546 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -93.84 126.64 39.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.884 -179.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.5 mtt180 -127.41 102.0 6.7 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.957 -0.757 . . . . 10.0 108.957 177.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.0 mt -90.15 124.2 34.63 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.603 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mp -116.77 128.84 74.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.67 -0.695 . . . . 10.0 109.644 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.573 ' HB3' HD21 ' A' ' 50' ' ' LEU . 70.2 t80 -124.19 116.45 22.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.173 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.7 18.09 9.3 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.754 -0.657 . . . . 10.0 112.072 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.26 -11.02 51.3 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.813 -0.708 . . . . 10.0 112.89 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -102.07 136.98 40.95 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.079 -0.341 . . . . 10.0 110.079 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -80.94 131.98 35.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.032 0.444 . . . . 10.0 110.582 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.573 HD21 ' HB3' ' A' ' 45' ' ' PHE . 21.9 mt -86.26 125.48 33.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.737 -179.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.508 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 41.8 mt-10 -83.52 150.69 25.82 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.887 -0.412 . . . . 10.0 109.887 179.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.53 -41.91 91.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.432 -0.349 . . . . 10.0 111.606 -179.228 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.8 45.12 3.46 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.929 -0.653 . . . . 10.0 113.124 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.508 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 21.8 mmt180 -133.3 159.21 40.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.719 0.295 . . . . 10.0 110.257 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.411 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -104.55 157.9 16.85 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.906 179.247 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.491 HD12 ' O ' ' A' ' 18' ' ' GLU . 61.7 mt -62.52 -33.82 75.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.025 0.441 . . . . 10.0 111.079 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.73 -24.55 62.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.099 -0.501 . . . . 10.0 111.064 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 55' ' ' THR . 31.2 m-20 -62.69 -31.73 72.68 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.19 -179.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -104.33 10.33 35.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.618 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 59.18 41.44 20.29 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.793 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 77.3 mt -85.18 112.93 22.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.118 -0.492 . . . . 10.0 109.803 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -100.65 -166.98 1.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.243 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -76.92 151.12 35.87 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.837 0.351 . . . . 10.0 110.982 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 68.76 19.8 8.32 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.589 -0.732 . . . . 10.0 111.692 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.9 m -86.75 147.93 25.64 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.981 -0.378 . . . . 10.0 109.981 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.9 m -101.95 131.1 48.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.026 0.441 . . . . 10.0 111.511 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -115.79 139.28 50.32 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.934 -0.765 . . . . 10.0 108.934 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -99.98 126.71 46.19 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.765 0.316 . . . . 10.0 110.478 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.567 HD23 HG22 ' A' ' 7' ' ' THR . 43.5 tp -105.83 110.41 22.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.326 0.584 . . . . 10.0 110.607 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.4 t -100.53 132.96 45.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.428 -0.806 . . . . 10.0 110.019 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 78.0 mt -92.86 126.35 37.9 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.856 -0.424 . . . . 10.0 109.856 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -101.11 114.17 27.86 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.023 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 66.9 mt -98.97 135.03 40.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.977 -0.556 . . . . 10.0 109.512 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.629 ' O ' ' HD3' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -116.2 9.92 14.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.995 0.426 . . . . 10.0 110.918 -179.514 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -179.42 109.17 0.26 Allowed Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.455 -0.879 . . . . 10.0 112.371 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.152 0 CA-C-O 118.344 -1.253 . . . . 10.0 111.533 179.618 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.451 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 26.1 ptt? . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 110.091 -0.337 . . . . 10.0 110.091 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -102.81 139.02 38.94 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.38 -0.373 . . . . 10.0 111.437 -178.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 23.4 pt -124.94 164.17 24.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.403 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.467 ' O ' ' HA ' ' B' ' 66' ' ' THR . 64.2 m-85 -118.95 110.51 17.22 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.972 0.415 . . . . 10.0 110.866 -179.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 43.2 t -98.16 121.37 48.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 109.812 -0.44 . . . . 10.0 109.812 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -104.16 135.25 46.0 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.011 0.434 . . . . 10.0 111.097 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.5 p -99.77 169.15 9.45 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.915 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 56.1 mt -76.4 -1.29 26.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.153 0.501 . . . . 10.0 110.349 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.61 -27.93 16.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.482 179.095 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.75 3.12 23.75 Favored Glycine 0 C--N 1.333 0.374 0 C-N-CA 121.043 -0.598 . . . . 10.0 112.189 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 41.7 tttt -86.2 133.45 33.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.618 0.247 . . . . 10.0 110.766 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.2 m -102.27 115.41 30.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.27 -0.423 . . . . 10.0 109.905 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 15.9 mt -99.65 121.23 50.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.264 -0.426 . . . . 10.0 111.366 -179.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.39 131.35 36.93 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 178.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 56.1 mt -138.45 146.93 42.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.049 0.452 . . . . 10.0 112.032 -178.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -98.18 116.27 30.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.187 -0.915 . . . . 10.0 109.287 178.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.451 ' O ' ' HG2' ' B' ' 1' ' ' MET . 4.6 m -141.06 154.67 21.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.374 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -106.81 151.64 40.61 Favored Pre-proline 0 C--N 1.319 -0.734 0 N-CA-C 109.395 -0.594 . . . . 10.0 109.395 178.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.67 -25.32 41.35 Favored 'Trans proline' 0 CA--C 1.533 0.435 0 C-N-CA 122.809 2.34 . . . . 10.0 113.172 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.81 4.71 48.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.409 -0.36 . . . . 10.0 111.932 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -78.75 151.73 31.9 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.72 0.295 . . . . 10.0 110.388 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.9 m -95.04 143.8 26.22 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.559 -178.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.43 HG12 ' O ' ' B' ' 54' ' ' ARG . 46.8 mm -53.21 -40.74 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 C-N-CA 122.474 0.31 . . . . 10.0 111.347 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -58.8 -35.6 73.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.906 0.384 . . . . 10.0 110.778 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.45 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 65.8 t30 -75.01 -35.29 61.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.049 0.452 . . . . 10.0 110.265 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 58.8 t -62.3 -48.22 89.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.326 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -69.5 -24.83 63.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.543 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.43 -32.14 70.92 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.68 -0.489 . . . . 10.0 109.68 178.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 95.9 mttt -71.27 -34.4 70.65 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.132 -0.692 . . . . 10.0 109.132 178.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 39.8 mt -70.36 -28.31 34.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 178.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -65.75 -23.45 66.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.491 -0.777 . . . . 10.0 109.949 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -92.51 -44.48 8.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.284 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 38.8 tttt -66.69 -43.12 85.25 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.714 -0.676 . . . . 10.0 111.663 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -101.31 -48.09 4.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.706 0.289 . . . . 10.0 111.184 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.62 -12.99 22.96 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.616 -0.802 . . . . 10.0 111.892 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 33.1 mt -68.26 125.79 91.96 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.565 -0.318 . . . . 10.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.466 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 51.8 Cg_exo -55.87 146.99 64.68 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 122.967 2.445 . . . . 10.0 112.413 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 27.9 Cg_exo -60.99 -24.77 80.31 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.765 2.31 . . . . 10.0 113.023 -179.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.22 -23.72 63.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.0 0.429 . . . . 10.0 111.117 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -101.95 6.62 41.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.167 -0.47 . . . . 10.0 111.047 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -103.86 104.63 14.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.615 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.419 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 6.1 ttt180 -103.9 106.53 17.07 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.647 -0.871 . . . . 10.0 108.647 178.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 65.5 mt -95.21 127.4 41.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.166 0.508 . . . . 10.0 111.775 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.6 mp -126.35 140.31 49.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.463 -0.79 . . . . 10.0 110.124 179.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.621 ' HB3' HD21 ' B' ' 50' ' ' LEU . 78.4 t80 -132.81 118.7 19.32 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.526 -0.546 . . . . 10.0 109.526 179.106 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.69 32.82 22.58 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.242 0.544 . . . . 10.0 111.186 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.08 -11.38 62.9 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.921 -0.657 . . . . 10.0 112.662 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -92.86 129.22 38.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.698 0.249 . . . . 10.0 110.502 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -75.52 132.56 40.82 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.621 HD21 ' HB3' ' B' ' 45' ' ' PHE . 22.3 mt -89.44 122.75 32.94 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.564 0.221 . . . . 10.0 111.509 -178.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.492 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 16.7 mt-10 -74.12 142.71 45.54 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.607 -0.516 . . . . 10.0 109.607 178.431 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.61 -37.12 72.74 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.363 0.505 . . . . 10.0 112.363 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.71 32.64 5.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 10.0 114.616 -177.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.492 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 19.6 mmt180 -123.53 168.04 13.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.837 0.819 . . . . 10.0 109.996 178.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 23.0 p -105.83 174.11 6.02 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.748 0.309 . . . . 10.0 110.454 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 89.9 mt -68.25 -47.72 66.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.973 0.416 . . . . 10.0 111.135 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -61.03 -26.59 67.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.107 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -62.86 -27.44 69.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.521 -0.763 . . . . 10.0 111.386 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -109.65 13.81 23.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.184 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 68.64 21.99 7.72 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 123.757 0.66 . . . . 10.0 111.501 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 59.2 mt -78.09 117.05 22.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.426 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -107.94 -168.04 1.32 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.057 -0.52 . . . . 10.0 109.969 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 56.8 pttt -74.02 153.06 39.85 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.88 -0.328 . . . . 10.0 110.558 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 66.89 14.02 9.66 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.75 0.656 . . . . 10.0 112.404 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 16.1 m -81.97 144.59 30.8 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.989 -0.284 . . . . 10.0 110.276 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 46.6 m -96.03 131.57 42.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.961 0.41 . . . . 10.0 110.927 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 mp -113.2 134.9 54.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.106 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -87.89 122.39 31.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.1 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 38.5 tp -106.64 108.09 19.42 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.022 0.439 . . . . 10.0 110.695 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.419 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 78.3 t -98.75 121.75 49.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.712 -0.677 . . . . 10.0 110.162 179.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 55.9 mt -89.61 122.07 32.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.019 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.94 165.32 13.24 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.985 0.421 . . . . 10.0 111.111 -179.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.43 HD13 HG12 ' D' ' 488' ' ' ILE . 6.4 mp -118.42 131.98 56.26 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.988 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -104.65 -21.36 13.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.791 -0.641 . . . . 10.0 110.74 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 157.01 178.75 31.38 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.912 -0.661 . . . . 10.0 111.764 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.077 -1.402 . . . . 10.0 111.274 179.609 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 110.263 -0.273 . . . . 10.0 110.263 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 58.33 32.72 22.41 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.502 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.78 -46.64 68.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.239 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 47.2 mm-40 -67.69 -33.13 74.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.412 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 86.4 mt -66.8 -39.19 87.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.194 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -66.56 -42.4 87.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.935 0.397 . . . . 10.0 109.948 179.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -60.74 -41.23 94.95 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.888 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 43.6 mtm -70.68 -41.21 72.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.775 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.42 -42.87 95.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.733 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -61.49 -30.76 70.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.601 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -63.58 -40.85 98.0 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.724 -0.473 . . . . 10.0 109.724 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 52.8 mt -73.83 -40.02 52.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.078 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -60.53 -25.44 66.13 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.796 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -75.84 -33.3 60.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.661 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 35.0 mmm -81.16 -45.05 16.96 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.94 -0.573 . . . . 10.0 109.687 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 468' ' ' PHE . . . . . 0.473 ' O ' HG12 ' D' ' 471' ' ' VAL . 61.7 m-85 -126.12 99.63 31.13 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.242 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -87.1 -1.21 7.9 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.823 2.349 . . . . 10.0 113.187 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 16.6 pm0 -88.84 1.82 54.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.762 0.315 . . . . 10.0 111.459 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 471' ' ' VAL . . . . . 0.473 HG12 ' O ' ' D' ' 468' ' ' PHE . 13.8 p -103.28 134.7 19.62 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.591 -0.277 . . . . 10.0 110.432 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 472' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' D' ' 471' ' ' VAL . 31.3 Cg_exo -60.92 121.3 9.48 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.364 2.043 . . . . 10.0 111.476 178.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -52.98 -38.93 62.62 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.679 -0.691 . . . . 10.0 112.564 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -65.68 -29.78 70.38 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.081 -0.248 . . . . 10.0 111.41 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 475' ' ' LEU . . . . . 0.446 HD13 HG23 ' D' ' 498' ' ' ILE . 35.0 mt -78.19 -27.46 47.94 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.919 -0.4 . . . . 10.0 109.919 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 43.3 t -69.76 -41.79 80.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.032 -0.729 . . . . 10.0 109.032 178.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 80.1 mt -63.91 -30.16 71.27 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.431 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -59.47 -56.47 21.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.944 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 479' ' ' ASP . . . . . 0.505 ' HB3' HG23 ' D' ' 489' ' ' THR . 8.7 t70 -66.49 -30.56 70.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.038 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.5 -31.82 71.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.787 0.327 . . . . 10.0 110.414 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -92.77 5.39 51.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.418 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -113.3 -47.03 3.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.333 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 72.1 p -102.87 -35.95 8.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.644 0.259 . . . . 10.0 111.569 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? 64.96 33.16 10.05 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.151 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 10.3 t -142.88 118.05 10.13 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.876 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 486' ' ' VAL . . . . . 0.412 HG22 ' H ' ' D' ' 486' ' ' VAL . 0.2 OUTLIER -57.44 -34.97 47.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.979 0.419 . . . . 10.0 110.364 179.642 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -62.15 -54.74 36.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.417 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 488' ' ' ILE . . . . . 0.43 HG12 HD13 ' B' ' 73' ' ' LEU . 66.0 mt -63.91 -45.65 96.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.409 -179.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 489' ' ' THR . . . . . 0.505 HG23 ' HB3' ' D' ' 479' ' ' ASP . 93.1 m -56.56 -50.65 71.26 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.095 0.406 . . . . 10.0 112.095 -179.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 10.5 m -61.16 -43.22 99.23 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.461 0.172 . . . . 10.0 111.406 -179.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -67.67 -42.37 82.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.112 0.482 . . . . 10.0 109.879 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -53.87 -42.5 68.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.385 -0.825 . . . . 10.0 110.854 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 85.5 mt -64.5 -46.07 93.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.626 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -22.2 65.25 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.997 0.427 . . . . 10.0 110.753 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -80.22 -40.13 27.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.097 0.475 . . . . 10.0 110.439 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 130.03 10.91 2.68 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.255 -0.974 . . . . 10.0 113.262 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 -64.36 -40.5 95.97 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.731 0.777 . . . . 10.0 109.042 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 498' ' ' ILE . . . . . 0.446 HG23 HD13 ' D' ' 475' ' ' LEU . 1.7 mp -100.0 125.82 53.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 114.904 -1.044 . . . . 10.0 108.264 178.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -72.77 122.26 21.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.885 0.374 . . . . 10.0 110.574 -179.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 26.2 m -71.77 157.83 88.94 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.47 -0.787 . . . . 10.0 110.521 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -50.17 111.5 0.54 Allowed 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.815 2.343 . . . . 10.0 112.767 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -121.52 144.46 40.33 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.031 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 503' ' ' PRO . . . . . 0.433 ' HG3' ' O ' ' A' ' 7' ' ' THR . 24.6 Cg_endo -62.22 131.73 35.69 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.573 2.182 . . . . 10.0 112.051 179.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.251 1.156 0 CA-C-O 118.466 -0.778 . . . . 10.0 109.948 -179.951 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 21.6 ptt? . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 109.984 -0.376 . . . . 10.0 109.984 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -98.48 134.77 40.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.51 -0.314 . . . . 10.0 110.827 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.8 pt -123.1 160.06 26.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.13 -0.487 . . . . 10.0 109.889 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -115.44 115.51 26.66 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.85 0.357 . . . . 10.0 111.094 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.3 t -107.42 122.42 61.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.513 -0.551 . . . . 10.0 109.513 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -105.6 139.62 39.93 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.207 0.527 . . . . 10.0 111.345 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.53 -178.25 3.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.551 -0.749 . . . . 10.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 35.0 mt -65.11 -29.0 69.82 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.255 -0.43 . . . . 10.0 111.115 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.19 1.21 25.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.267 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.18 9.49 86.99 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.897 -0.668 . . . . 10.0 111.91 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -77.45 123.38 26.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.693 0.282 . . . . 10.0 110.322 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -95.99 115.88 28.1 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.3 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.5 mp -105.94 123.23 60.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.546 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 m -90.01 130.97 36.13 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.544 -0.539 . . . . 10.0 109.544 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.1 mt -129.85 150.69 51.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.808 0.337 . . . . 10.0 110.993 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -101.58 113.08 25.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.681 -0.69 . . . . 10.0 109.724 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.455 ' O ' ' HG2' ' A' ' 1' ' ' MET . 3.2 m -142.02 153.49 18.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.812 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.543 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 65.0 mm-40 -107.88 160.8 25.51 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 108.91 -0.774 . . . . 10.0 108.91 178.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.436 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 50.7 Cg_exo -55.34 -24.55 43.25 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.34 2.027 . . . . 10.0 113.041 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.9 -3.02 59.03 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.788 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.543 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 0.3 OUTLIER -69.16 130.01 41.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.803 0.335 . . . . 10.0 110.729 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.525 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -79.48 144.64 33.82 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.503 -0.555 . . . . 10.0 109.503 178.906 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.9 mm -54.68 -42.18 59.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.731 0.3 . . . . 10.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -59.15 -40.9 86.99 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.118 0.485 . . . . 10.0 110.207 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -65.72 -38.52 89.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.853 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 22' ' ' THR . 44.3 t -65.09 -42.91 95.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.014 179.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -62.9 -35.06 78.82 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.537 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.05 -36.7 84.88 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.067 -0.515 . . . . 10.0 109.985 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -66.25 -34.42 77.96 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.935 179.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 55.1 mt -70.49 -34.82 59.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.25 0.547 . . . . 10.0 109.563 178.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -70.44 -35.53 73.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.095 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -72.65 -33.55 66.66 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.764 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -86.25 -61.62 1.7 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.853 -0.612 . . . . 10.0 112.174 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -81.9 -46.12 14.52 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.784 0.291 . . . . 10.0 111.784 -178.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.99 -13.31 17.03 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.443 -0.884 . . . . 10.0 112.548 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 29.1 mt -64.03 123.25 81.44 Favored Pre-proline 0 C--N 1.325 -0.478 0 C-N-CA 121.968 0.107 . . . . 10.0 110.918 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.51 133.1 49.75 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.683 2.255 . . . . 10.0 111.768 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.31 -21.44 52.73 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 123.227 2.618 . . . . 10.0 112.866 -179.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.99 -32.61 73.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.136 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -100.74 3.72 42.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.535 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -86.26 126.57 34.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.927 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -123.62 95.59 4.64 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.705 -0.48 . . . . 10.0 109.705 178.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 39.8 mt -83.84 123.78 30.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.937 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 81.6 mt -120.19 129.19 75.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.648 -0.706 . . . . 10.0 110.262 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -119.8 111.2 17.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.131 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.58 22.36 12.14 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.684 -0.689 . . . . 10.0 111.742 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.18 -13.14 55.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.873 -0.679 . . . . 10.0 112.521 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -93.29 131.59 38.27 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.547 0.213 . . . . 10.0 110.623 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -82.23 127.86 33.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.429 -0.351 . . . . 10.0 110.206 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.0 mt -83.35 129.16 34.98 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.812 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.478 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 39.8 mt-10 -84.27 164.32 19.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.193 179.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -62.27 -57.55 10.98 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.277 -0.419 . . . . 10.0 112.012 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.32 60.85 4.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.848 -0.691 . . . . 10.0 113.844 -178.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.478 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 24.4 mmt180 -138.33 158.33 44.49 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 178.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.552 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 33.2 p -107.17 172.87 6.58 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.697 -0.482 . . . . 10.0 109.697 178.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.436 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 20.4 mt -66.93 -33.56 75.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.076 0.465 . . . . 10.0 110.448 179.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.3 m -70.14 -16.27 63.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.888 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.552 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.8 OUTLIER -67.87 -21.7 65.15 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.014 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -122.35 13.56 10.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.986 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.8 t30 59.28 37.02 23.76 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.595 0.712 . . . . 10.0 110.897 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.2 mt -76.82 120.94 28.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.136 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -110.37 -161.2 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.452 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -79.74 151.56 30.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.579 -0.282 . . . . 10.0 110.3 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 66.48 22.2 10.7 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.305 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.1 m -77.53 146.8 36.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.856 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 m -109.16 123.21 48.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.026 -0.533 . . . . 10.0 110.642 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mp -114.99 141.99 47.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.308 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -101.6 123.96 46.48 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.172 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.6 tp -103.63 102.42 12.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.072 0.463 . . . . 10.0 110.494 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.7 t -94.12 133.01 36.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.888 -0.597 . . . . 10.0 109.742 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.7 mt -95.27 144.16 26.07 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.267 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -111.53 121.37 45.0 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.256 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 30.9 mt -104.15 149.92 24.81 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.206 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.564 ' HA ' ' NE ' ' A' ' 74' ' ' ARG . 2.0 mmp_? -135.31 116.24 14.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.024 0.44 . . . . 10.0 110.435 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.44 -70.81 0.62 Allowed Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.806 -0.634 . . . . 10.0 111.716 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.409 -1.217 . . . . 10.0 112.29 179.62 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.532 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 22.9 ptt? . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 110.223 -0.288 . . . . 10.0 110.223 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -110.67 140.84 44.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.567 0.222 . . . . 10.0 110.775 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 28.8 pt -134.31 157.88 41.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.433 -0.58 . . . . 10.0 109.433 178.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -114.49 115.55 27.42 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.259 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 52.1 t -99.64 123.86 52.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.618 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 19.5 tttp -102.9 141.85 35.0 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.162 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.6 p -113.48 170.28 8.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.71 0.29 . . . . 10.0 111.225 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 52.0 mt -72.0 -17.56 62.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.293 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.34 -11.49 51.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.038 0.447 . . . . 10.0 110.583 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.65 9.57 59.88 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.903 -0.665 . . . . 10.0 112.6 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -84.91 127.08 34.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.805 0.336 . . . . 10.0 110.719 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -91.11 109.5 20.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.311 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.1 mt -100.38 123.34 53.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.295 -0.412 . . . . 10.0 111.105 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.4 132.91 38.54 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.539 -0.541 . . . . 10.0 109.539 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 27.3 mt -136.54 141.33 43.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.139 0.495 . . . . 10.0 111.748 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -99.21 114.78 27.75 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.299 -0.864 . . . . 10.0 108.821 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.532 ' O ' ' HG2' ' B' ' 1' ' ' MET . 3.9 m -142.5 163.82 17.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.509 -179.029 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.421 ' O ' HD12 ' B' ' 56' ' ' LEU . 65.1 mm-40 -113.21 156.46 42.98 Favored Pre-proline 0 C--N 1.315 -0.914 0 N-CA-C 109.057 -0.72 . . . . 10.0 109.057 178.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.41 -38.32 73.58 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.153 1.902 . . . . 10.0 112.521 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.5 m -84.56 6.96 21.67 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.474 0.546 . . . . 10.0 112.474 -178.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -76.54 131.45 38.97 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 179.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.84 143.93 47.65 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.507 -0.315 . . . . 10.0 111.104 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 48.8 mm -57.92 -34.87 49.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.592 -0.521 . . . . 10.0 109.592 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -57.86 -37.64 74.28 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.277 -0.874 . . . . 10.0 110.691 178.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -73.48 -33.08 64.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.717 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 42.7 t -64.23 -39.92 87.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.515 178.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -59.87 -39.41 85.15 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.394 0.616 . . . . 10.0 109.88 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.93 -35.33 78.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.367 -0.833 . . . . 10.0 110.712 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -66.62 -38.09 86.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.154 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 66.5 mt -71.41 -34.4 53.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.952 -0.758 . . . . 10.0 108.952 178.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -66.88 -32.58 73.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.035 -0.984 . . . . 10.0 110.281 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -78.67 -35.75 44.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.159 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -81.68 -67.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.314 0.487 . . . . 10.0 112.314 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -75.31 -33.88 61.22 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.38 0.511 . . . . 10.0 112.38 -177.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.22 37.66 8.18 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.315 -0.945 . . . . 10.0 112.283 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.9 mt -111.69 125.37 30.48 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 109.846 -0.427 . . . . 10.0 109.846 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 50.0 Cg_exo -52.94 136.28 60.05 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.754 2.303 . . . . 10.0 112.458 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 45.5 Cg_exo -56.36 -25.41 56.92 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 123.052 2.501 . . . . 10.0 112.579 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -67.09 -17.67 64.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.391 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -112.0 12.12 20.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.779 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -106.3 125.67 51.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.401 -0.363 . . . . 10.0 111.447 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -129.48 102.22 6.3 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 178.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 28.6 mt -85.61 126.88 34.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.81 -178.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -124.39 134.82 65.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.576 -0.738 . . . . 10.0 110.07 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.406 ' HB3' HD21 ' B' ' 50' ' ' LEU . 59.6 t80 -116.88 99.44 7.09 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.863 -0.421 . . . . 10.0 109.863 179.078 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.82 34.97 24.05 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.789 -0.641 . . . . 10.0 111.537 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.51 -11.75 63.15 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.707 -0.759 . . . . 10.0 113.205 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -96.02 120.72 36.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.868 0.334 . . . . 10.0 110.433 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.41 129.97 38.77 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.784 -0.45 . . . . 10.0 109.784 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.406 HD21 ' HB3' ' B' ' 45' ' ' PHE . 11.1 mt -93.35 134.09 35.93 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.535 -179.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.496 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 30.3 mt-10 -88.76 143.66 26.77 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.647 -0.501 . . . . 10.0 109.647 178.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.83 -38.33 75.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.707 -179.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.55 34.55 2.91 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.054 -0.593 . . . . 10.0 113.694 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.496 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 19.5 mmt180 -135.86 164.91 26.85 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 179.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 64.3 p -105.76 169.54 8.42 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.881 -0.415 . . . . 10.0 109.881 179.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.421 HD12 ' O ' ' B' ' 18' ' ' GLU . 71.9 mt -66.35 -36.25 82.4 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.919 0.39 . . . . 10.0 110.711 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.12 -8.7 56.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.709 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' B' ' 55' ' ' THR . 3.3 m-20 -75.74 -25.74 56.82 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.146 0.498 . . . . 10.0 110.401 179.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -107.91 20.31 18.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.877 -0.601 . . . . 10.0 112.216 -178.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.6 t30 66.16 26.94 10.51 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.693 0.62 . . . . 10.0 111.67 178.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.3 mt -82.73 137.54 20.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.253 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -122.24 -164.07 1.13 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.203 -0.453 . . . . 10.0 109.97 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 31.2 pttt -80.6 154.84 27.19 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.715 -0.394 . . . . 10.0 110.641 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 64.07 18.89 11.5 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.667 -0.697 . . . . 10.0 112.207 178.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 32.5 m -86.3 145.35 26.96 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.97 0.414 . . . . 10.0 110.793 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 15.7 m -94.78 133.4 38.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.851 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 mp -118.05 153.45 33.69 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.306 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -108.92 126.52 53.16 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.521 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.7 tp -104.5 106.64 17.21 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.084 0.468 . . . . 10.0 110.608 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 79.1 t -87.98 114.62 26.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.439 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 98.1 mt -84.85 119.78 25.71 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.602 -0.518 . . . . 10.0 109.602 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.461 ' HG3' ' OD1' ' D' ' 491' ' ' ASP . 0.4 OUTLIER -112.75 135.96 52.9 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.934 0.397 . . . . 10.0 111.233 -178.876 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.92 147.97 37.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.955 -0.566 . . . . 10.0 109.647 179.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.505 ' NE ' ' HA ' ' B' ' 74' ' ' ARG . 10.4 mmp_? -107.5 -25.43 11.39 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.751 0.31 . . . . 10.0 111.065 -179.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -138.71 -75.89 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.742 -0.742 . . . . 10.0 111.354 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.184 0 CA-C-O 118.214 -1.326 . . . . 10.0 111.421 179.791 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 453' ' ' SER . . . . . 0.411 ' HB2' ' OG ' ' D' ' 455' ' ' SER . 0.3 OUTLIER . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.691 0.281 . . . . 10.0 111.382 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 40.8 m-20 62.85 17.56 10.04 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 122.743 0.417 . . . . 10.0 111.798 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 455' ' ' SER . . . . . 0.411 ' OG ' ' HB2' ' D' ' 453' ' ' SER . 0.7 OUTLIER -66.9 -39.64 87.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.009 0.433 . . . . 10.0 110.397 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -62.38 -45.12 94.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.648 -0.705 . . . . 10.0 110.219 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 80.4 mt -67.07 -40.0 86.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.374 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -64.51 -40.64 96.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.548 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -66.56 -37.24 84.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.955 0.407 . . . . 10.0 110.337 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 62.9 mtt -68.68 -44.2 74.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.048 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.64 -36.51 83.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.591 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -58.74 -41.98 87.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.418 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -62.24 -41.24 98.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.599 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 72.1 mt -67.94 -41.77 85.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.339 -0.392 . . . . 10.0 110.503 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -64.05 -16.41 61.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.444 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -83.02 -19.36 37.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.012 0.434 . . . . 10.0 110.185 179.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -102.75 -39.22 7.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.756 179.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 468' ' ' PHE . . . . . 0.403 ' O ' HG12 ' D' ' 471' ' ' VAL . 9.5 m-85 -118.36 91.22 40.55 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.879 179.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -87.86 6.42 5.02 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.616 2.211 . . . . 10.0 113.267 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 12.6 pm0 -107.31 1.61 23.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.594 0.235 . . . . 10.0 111.336 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 471' ' ' VAL . . . . . 0.403 HG12 ' O ' ' D' ' 468' ' ' PHE . 13.4 p -100.85 131.03 24.01 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.655 -0.248 . . . . 10.0 110.686 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 472' ' ' PRO . . . . . 0.411 ' O ' HG23 ' D' ' 476' ' ' VAL . 47.9 Cg_exo -57.71 124.92 17.17 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.752 2.302 . . . . 10.0 112.558 179.079 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -55.68 -39.26 70.73 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.56 -0.745 . . . . 10.0 112.345 -178.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 51.9 p-80 -63.88 -29.68 70.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.646 0.26 . . . . 10.0 111.069 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 46.0 mt -77.86 -35.54 50.88 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.876 -0.416 . . . . 10.0 109.876 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 476' ' ' VAL . . . . . 0.411 HG23 ' O ' ' D' ' 472' ' ' PRO . 26.5 t -63.78 -47.59 90.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.999 -0.546 . . . . 10.0 109.662 178.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 63.3 mt -64.21 -30.7 71.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.699 -0.682 . . . . 10.0 110.796 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -67.74 -47.53 69.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.28 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -68.4 -38.19 81.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.762 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.7 -27.79 52.17 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.862 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -78.87 -27.3 44.03 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.702 0.287 . . . . 10.0 110.972 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -88.58 -48.28 7.69 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.531 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 31.6 p -85.66 -39.68 17.0 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.736 0.273 . . . . 10.0 111.736 -178.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 60.88 28.23 18.01 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.39 0.614 . . . . 10.0 110.436 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 9.6 t -152.41 117.28 5.12 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.56 -0.746 . . . . 10.0 109.908 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 17.6 m -57.78 -32.26 42.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.302 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -61.9 -44.4 96.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.529 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 17.0 mt -75.3 -38.09 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.719 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 37.7 m -59.09 -52.6 65.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.333 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 2.7 m -62.22 -37.58 85.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 10.0 110.726 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 491' ' ' ASP . . . . . 0.461 ' OD1' ' HG3' ' B' ' 72' ' ' ARG . 4.5 t70 -66.63 -43.98 83.22 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 178.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -55.52 -36.55 66.85 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.548 -0.751 . . . . 10.0 110.817 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 83.7 mt -66.73 -45.3 88.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.205 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -34.6 77.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.882 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -61.29 -42.99 99.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.18 0.514 . . . . 10.0 110.44 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 123.16 15.61 3.75 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.54 -0.838 . . . . 10.0 112.708 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -73.58 -37.96 65.31 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 3.6 mp -95.74 124.37 48.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.534 -0.757 . . . . 10.0 109.288 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -69.33 127.35 32.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.936 0.398 . . . . 10.0 111.256 -179.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 26.5 m -78.43 157.8 77.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.586 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -46.68 119.61 3.38 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.072 2.514 . . . . 10.0 112.84 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -140.73 136.89 16.74 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.802 -0.635 . . . . 10.0 109.895 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -65.6 116.91 4.19 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.585 2.19 . . . . 10.0 111.733 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.552 -0.737 . . . . 10.0 110.315 -179.798 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 110.18 -0.304 . . . . 10.0 110.18 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 71.8 mm-40 -97.4 143.59 27.98 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.111 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.9 pt -132.64 162.82 39.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.967 -0.753 . . . . 10.0 108.967 178.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -122.69 113.78 19.68 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.873 0.368 . . . . 10.0 111.127 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.8 t -105.05 120.38 55.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.022 -0.536 . . . . 10.0 109.912 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -102.45 134.18 46.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.072 0.463 . . . . 10.0 111.247 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.28 170.45 9.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.708 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.9 mt -68.24 -12.84 61.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.751 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.92 -4.35 58.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.92 0.391 . . . . 10.0 111.347 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.06 34.77 16.99 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.69 -0.767 . . . . 10.0 111.949 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.448 ' HE2' HG12 ' A' ' 13' ' ' ILE . 74.4 tttt -116.02 124.75 51.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.809 0.338 . . . . 10.0 110.415 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.9 m -95.95 114.78 26.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.413 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.448 HG12 ' HE2' ' A' ' 11' ' ' LYS . 20.7 mt -101.98 127.21 55.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.099 -179.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.95 133.95 33.55 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.716 -0.475 . . . . 10.0 109.716 178.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.6 mt -133.66 140.35 47.02 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.91 0.386 . . . . 10.0 111.125 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -97.53 109.19 21.99 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.256 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 m -136.22 -177.34 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.319 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.587 ' O ' HD12 ' A' ' 56' ' ' LEU . 35.5 mm-40 -141.56 156.1 66.72 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 108.941 -0.762 . . . . 10.0 108.941 179.18 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.402 ' HD2' ' OE1' ' A' ' 18' ' ' GLU . 11.5 Cg_endo -55.96 -28.41 68.53 Favored 'Trans proline' 0 CA--C 1.53 0.311 0 C-N-CA 122.42 2.08 . . . . 10.0 112.335 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.2 0.61 44.64 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.495 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -80.31 150.98 29.75 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 120.787 0.327 . . . . 10.0 110.29 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -94.83 144.78 25.37 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.239 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 51.7 mm -55.35 -40.68 58.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 120.976 0.417 . . . . 10.0 110.745 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -57.45 -40.9 79.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.8 -0.636 . . . . 10.0 110.832 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -68.0 -35.36 78.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.012 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.35 -41.43 92.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 178.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -61.2 -40.33 93.54 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.609 178.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.76 -37.05 86.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.556 -0.747 . . . . 10.0 110.495 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -67.04 -36.22 81.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.032 -0.531 . . . . 10.0 109.98 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 85.3 mt -68.11 -38.02 79.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 178.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -66.61 -31.77 72.67 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.761 -0.654 . . . . 10.0 109.714 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -69.09 -39.32 79.08 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 69.6 mttt -81.98 -59.4 2.59 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.496 0.554 . . . . 10.0 112.496 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -79.65 -46.91 16.29 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.263 0.468 . . . . 10.0 112.263 -178.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.32 9.78 26.85 Favored Glycine 0 N--CA 1.454 -0.162 0 C-N-CA 120.474 -0.869 . . . . 10.0 112.349 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.8 mt -88.33 123.6 68.04 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 110.463 -0.199 . . . . 10.0 110.463 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -55.55 142.37 81.47 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.757 2.305 . . . . 10.0 112.404 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -57.44 -27.14 74.78 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.923 2.415 . . . . 10.0 112.853 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -66.4 -25.89 66.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.009 0.433 . . . . 10.0 110.665 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.494 ' HA ' ' HB3' ' A' ' 72' ' ' ARG . 47.0 mt-30 -102.12 11.0 39.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.106 -179.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -104.61 133.77 48.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.23 -0.441 . . . . 10.0 111.386 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.0 mtt180 -132.65 104.77 6.81 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.114 -0.493 . . . . 10.0 109.708 178.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.3 mt -92.92 126.11 37.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.968 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.6 mp -123.74 132.7 70.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.337 179.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.45 ' HB3' HD21 ' A' ' 50' ' ' LEU . 77.8 t80 -133.76 129.27 36.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.965 -0.562 . . . . 10.0 109.541 179.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.55 24.93 13.7 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.661 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.52 7.8 85.76 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.871 -0.68 . . . . 10.0 112.495 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -115.63 133.53 55.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.697 -0.296 . . . . 10.0 110.246 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -77.7 132.08 38.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.276 -0.42 . . . . 10.0 109.953 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.45 HD21 ' HB3' ' A' ' 45' ' ' PHE . 14.9 mt -87.2 142.34 27.98 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.4 -178.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.491 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 18.0 mt-10 -100.42 147.84 25.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.689 -0.687 . . . . 10.0 109.593 178.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -68.07 -20.26 64.94 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.623 0.601 . . . . 10.0 112.623 -178.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.76 4.2 85.84 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.466 -0.874 . . . . 10.0 113.042 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.491 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 22.9 mmt180 -109.63 167.0 10.47 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 122.533 -0.392 . . . . 10.0 110.795 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.5 p -109.93 169.87 8.44 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.542 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 18' ' ' GLU . 63.8 mt -62.91 -34.67 77.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.886 0.374 . . . . 10.0 110.567 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 51.0 m -68.35 -28.24 66.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.871 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -63.52 -26.25 68.62 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.814 0.34 . . . . 10.0 111.297 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -108.89 10.7 26.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.338 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.9 t30 56.99 36.04 27.24 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.461 -0.791 . . . . 10.0 111.22 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 83.7 mt -79.85 115.09 21.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.114 -0.494 . . . . 10.0 109.759 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -99.12 -163.0 1.0 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.655 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -78.26 153.6 31.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.462 -0.335 . . . . 10.0 110.834 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 60.3 24.73 14.18 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.682 -0.69 . . . . 10.0 112.023 178.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.6 m -82.24 145.83 29.82 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.985 -0.376 . . . . 10.0 109.985 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.2 m -100.01 122.53 43.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.43 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 mp -117.27 149.12 40.96 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.923 -0.58 . . . . 10.0 109.734 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -109.85 134.32 52.18 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.595 0.236 . . . . 10.0 110.386 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.4 tp -113.52 118.55 34.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.125 0.488 . . . . 10.0 111.472 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.6 t -102.71 139.9 22.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.291 178.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.5 mt -96.4 146.59 24.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.804 0.335 . . . . 10.0 111.132 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.494 ' HB3' ' HA ' ' A' ' 40' ' ' GLN . 51.8 ttt180 -115.47 123.74 49.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.52 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 78.5 mt -98.78 129.31 45.19 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -126.23 19.9 7.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.853 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -130.81 41.11 1.56 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.293 -0.956 . . . . 10.0 112.861 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.261 0 CA-C-O 118.611 -1.105 . . . . 10.0 112.05 179.422 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptt? . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.656 0.265 . . . . 10.0 110.614 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -122.6 144.51 49.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.856 0.36 . . . . 10.0 111.089 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.9 pt -128.13 165.83 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.173 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.42 ' O ' ' HA ' ' B' ' 66' ' ' THR . 89.7 m-85 -119.95 110.35 16.61 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.375 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 46.5 t -91.53 124.3 43.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.518 -0.31 . . . . 10.0 110.199 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -100.61 138.49 37.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.114 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 16.6 p -112.51 173.23 6.47 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.364 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 35.8 mt -76.67 -8.98 58.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.844 0.354 . . . . 10.0 110.814 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 3.9 p -96.48 -18.64 19.71 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.11 0.481 . . . . 10.0 110.861 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.62 -1.36 45.72 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.744 -0.741 . . . . 10.0 111.744 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 44.0 tttp -72.17 116.91 13.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.521 -0.339 . . . . 10.0 110.564 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.8 m -90.79 119.73 31.25 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.002 0.43 . . . . 10.0 110.467 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 84.0 mt -111.62 123.34 67.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.016 0.436 . . . . 10.0 111.478 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.16 136.33 33.52 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.184 -0.462 . . . . 10.0 109.779 178.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 18.9 mt -137.45 138.1 39.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.063 0.459 . . . . 10.0 111.475 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.48 111.24 19.8 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.611 -0.722 . . . . 10.0 109.149 179.03 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 15.8 m -130.16 165.99 28.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.499 -179.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.471 ' O ' HD12 ' B' ' 56' ' ' LEU . 24.9 mm-40 -122.47 158.85 55.04 Favored Pre-proline 0 C--N 1.319 -0.75 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.032 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.53 -26.92 80.55 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 121.91 1.74 . . . . 10.0 111.728 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -94.14 9.83 36.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.265 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.463 ' HB2' ' H ' ' B' ' 18' ' ' GLU . 10.7 t0 -80.2 137.39 36.66 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.766 -0.457 . . . . 10.0 109.766 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.45 146.22 27.06 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.668 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 50.0 mm -56.82 -40.78 73.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.896 0.379 . . . . 10.0 110.552 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -61.07 -35.54 77.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.629 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -69.14 -37.79 78.46 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.745 -0.465 . . . . 10.0 109.745 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.29 -39.16 84.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.534 178.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.417 ' HE3' ' HB2' ' B' ' 41' ' ' GLN . 2.4 mmmm -59.66 -41.31 90.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.191 178.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.33 -31.15 71.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.657 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -70.29 -38.26 74.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.23 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 63.1 mt -70.05 -37.03 71.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 121.171 0.51 . . . . 10.0 109.788 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.413 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 43.4 tt0 -66.19 -34.75 78.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.042 179.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -70.36 -23.64 62.84 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.695 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -89.65 -70.19 0.68 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.123 -0.49 . . . . 10.0 112.112 -179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -83.58 -26.11 30.32 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.496 0.554 . . . . 10.0 112.496 -177.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 94.39 -3.13 68.68 Favored Glycine 0 C--N 1.32 -0.348 0 C-N-CA 120.486 -0.864 . . . . 10.0 112.331 -179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 75.1 mt -61.99 122.02 69.39 Favored Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 110.57 -0.159 . . . . 10.0 110.57 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -55.75 137.27 77.93 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.84 2.36 . . . . 10.0 112.214 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.71 -20.54 43.23 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.667 2.245 . . . . 10.0 112.484 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -68.25 -35.24 77.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.163 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -90.56 -11.67 39.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.887 -179.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.417 ' HB2' ' HE3' ' B' ' 27' ' ' LYS . 75.2 mt-30 -78.33 95.57 5.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.117 -0.492 . . . . 10.0 112.129 -178.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.466 ' CZ ' HD22 ' D' ' 494' ' ' LEU . 36.0 ttt180 -101.29 100.67 11.21 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.688 -0.856 . . . . 10.0 108.688 177.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 64.9 mt -86.78 130.85 34.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 10.0 111.801 -178.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.4 mp -128.36 141.45 46.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.524 -0.762 . . . . 10.0 110.235 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.523 ' HB3' HD21 ' B' ' 50' ' ' LEU . 67.6 t80 -136.46 124.65 23.1 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.856 -0.424 . . . . 10.0 109.856 178.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.78 26.41 15.55 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 123.589 0.555 . . . . 10.0 111.744 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.23 1.7 78.43 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.801 -0.714 . . . . 10.0 113.102 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -117.59 136.29 53.38 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.249 -0.278 . . . . 10.0 110.249 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.8 143.3 46.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.594 0.235 . . . . 10.0 110.461 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.523 HD21 ' HB3' ' B' ' 45' ' ' PHE . 47.3 mt -94.66 143.02 26.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.059 -179.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -92.34 139.59 30.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 10.0 109.771 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -64.96 -27.37 68.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.512 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.65 22.77 12.11 Favored Glycine 0 C--O 1.228 -0.231 0 C-N-CA 120.943 -0.646 . . . . 10.0 112.882 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' B' ' 54' ' ' ARG . 8.2 mmt-85 -127.61 166.35 18.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.815 0.34 . . . . 10.0 110.491 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 49.0 p -109.21 175.33 5.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.26 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.471 HD12 ' O ' ' B' ' 18' ' ' GLU . 96.5 mt -67.26 -35.29 79.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.893 0.377 . . . . 10.0 110.993 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 49.1 m -70.98 -19.21 62.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.528 -0.305 . . . . 10.0 111.576 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -66.19 -31.21 71.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.848 0.356 . . . . 10.0 110.763 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.411 ' HB2' HG13 ' B' ' 61' ' ' ILE . 82.4 m-85 -107.27 13.79 26.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.05 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 61.41 35.49 17.75 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.333 0.587 . . . . 10.0 110.919 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.411 HG13 ' HB2' ' B' ' 59' ' ' TYR . 66.8 mt -82.63 122.31 37.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.033 179.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -109.9 -164.42 0.93 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.244 -179.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.468 ' H ' ' HD3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -76.35 156.86 32.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.685 179.865 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 67.34 13.52 9.39 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.858 0.724 . . . . 10.0 111.836 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 20.2 m -81.68 139.78 34.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.613 0.244 . . . . 10.0 110.368 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 2.0 m -91.98 129.74 37.87 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.378 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mp -109.61 131.91 54.63 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.167 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.581 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 35.9 m80 -88.33 116.9 26.88 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.881 -179.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.4 tp -104.74 98.42 8.17 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.819 -0.438 . . . . 10.0 109.819 178.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 99.1 t -97.94 127.18 50.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.912 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 49.9 mt -86.04 106.56 17.28 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.838 -0.801 . . . . 10.0 108.838 178.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.14 152.74 21.45 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.928 0.394 . . . . 10.0 111.579 -178.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 4.9 mp -136.03 125.29 24.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.264 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -123.4 10.97 9.26 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.2 0.524 . . . . 10.0 110.312 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -162.55 47.62 0.34 Allowed Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.597 -0.728 . . . . 10.0 111.297 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.165 0 CA-C-O 118.528 -1.151 . . . . 10.0 111.407 -179.734 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 120.612 0.244 . . . . 10.0 110.636 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 454' ' ' ASN . . . . . 0.597 ' O ' ' HB2' ' D' ' 458' ' ' ASN . 10.5 t30 65.9 19.71 11.3 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.689 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.07 -59.07 2.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.762 -179.105 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -61.11 -41.35 96.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.122 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 65.1 mt -64.61 -39.28 93.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.748 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 458' ' ' ASN . . . . . 0.597 ' HB2' ' O ' ' D' ' 454' ' ' ASN . 7.4 t-20 -65.01 -42.44 94.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.46 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -58.81 -42.93 90.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.867 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 54.1 mtm -70.6 -39.89 73.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.545 -0.752 . . . . 10.0 110.593 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.6 95.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.762 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -58.18 -41.37 83.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.834 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -64.67 -41.04 96.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.513 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 82.0 mt -65.68 -34.34 69.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.233 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 -63.31 -25.35 68.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.958 0.409 . . . . 10.0 110.819 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -77.28 -26.44 52.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.18 -0.463 . . . . 10.0 110.079 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . 0.581 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 62.8 mmm -88.53 -37.29 15.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.47 -0.786 . . . . 10.0 110.184 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 468' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.17 88.99 19.08 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.715 -0.675 . . . . 10.0 109.848 179.151 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -79.98 23.38 0.68 Allowed 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.706 2.271 . . . . 10.0 113.307 -178.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -150.36 52.58 0.89 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.105 0.479 . . . . 10.0 110.553 -179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 471' ' ' VAL . . . . . . . . . . . . . 12.1 p -146.56 134.54 10.6 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.551 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 472' ' ' PRO . . . . . 0.479 ' HG2' HD12 ' D' ' 475' ' ' LEU . 32.5 Cg_exo -59.77 122.26 11.16 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.316 2.011 . . . . 10.0 112.02 178.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -54.46 -44.01 72.17 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.47 -0.786 . . . . 10.0 112.641 -178.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 49.9 p-80 -64.3 -28.21 69.56 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.718 0.266 . . . . 10.0 111.718 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 475' ' ' LEU . . . . . 0.479 HD12 ' HG2' ' D' ' 472' ' ' PRO . 23.7 mt -78.04 -30.94 50.12 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.183 -0.303 . . . . 10.0 110.183 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 60.5 t -65.07 -40.81 90.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 109.158 -0.682 . . . . 10.0 109.158 178.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 71.5 mt -63.52 -29.38 70.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.45 -0.796 . . . . 10.0 110.561 178.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -66.12 -49.0 69.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.744 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -66.53 -35.55 80.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.089 0.471 . . . . 10.0 110.092 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.31 -30.75 68.57 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.518 -0.765 . . . . 10.0 111.092 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -87.27 -3.55 59.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.817 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -106.27 -64.57 1.15 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.902 0.382 . . . . 10.0 111.204 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 48.8 p -78.53 -39.0 39.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.868 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 484' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' D' ' 484' ' ' ARG . 52.1 mtt85 64.15 39.72 7.42 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.711 -0.677 . . . . 10.0 111.342 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 3.1 t -154.99 116.36 4.04 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.494 -0.558 . . . . 10.0 109.494 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 10.7 m -55.93 -33.94 36.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 120.721 0.295 . . . . 10.0 111.535 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -64.94 -54.64 27.44 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.382 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 488' ' ' ILE . . . . . 0.405 ' O ' ' HB2' ' D' ' 492' ' ' ASN . 60.5 mt -66.03 -39.21 83.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.175 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 66.2 m -58.99 -55.04 40.31 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.784 0.29 . . . . 10.0 111.784 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 2.4 m -60.9 -37.37 82.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.738 0.304 . . . . 10.0 111.142 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -68.67 -41.03 79.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.398 0.618 . . . . 10.0 109.979 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 492' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' D' ' 488' ' ' ILE . 30.1 t30 -60.77 -43.84 97.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.038 -0.983 . . . . 10.0 110.181 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 77.1 mt -68.31 -36.25 74.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.609 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 494' ' ' LEU . . . . . 0.466 HD22 ' CZ ' ' B' ' 42' ' ' ARG . 0.1 OUTLIER -63.02 -22.63 66.99 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.005 0.431 . . . . 10.0 110.983 179.881 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -91.42 -4.07 56.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.853 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 81.71 29.01 40.53 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.955 -0.64 . . . . 10.0 113.401 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -69.96 -41.69 74.15 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.213 -0.662 . . . . 10.0 109.213 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -92.56 145.95 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 N-CA-C 108.673 -0.862 . . . . 10.0 108.673 178.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -61.93 126.64 28.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.168 0.508 . . . . 10.0 111.485 -179.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 23.1 m -90.78 161.95 34.61 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.007 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.13 102.08 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.357 2.038 . . . . 10.0 112.053 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -116.23 137.36 23.42 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.149 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -63.32 140.61 77.86 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.356 2.037 . . . . 10.0 111.981 179.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 C--O 1.253 1.239 0 CA-C-O 118.207 -0.901 . . . . 10.0 109.553 -179.682 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.519 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 24.4 ptt? . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 109.862 -0.421 . . . . 10.0 109.862 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -94.95 133.93 38.16 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.259 -0.428 . . . . 10.0 112.062 -178.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.0 pt -123.43 163.16 23.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.211 -0.663 . . . . 10.0 109.211 178.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.578 ' O ' ' HA ' ' A' ' 66' ' ' THR . 86.9 m-85 -120.05 112.34 19.02 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.648 0.261 . . . . 10.0 110.782 -179.277 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.0 t -98.88 121.24 49.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -104.24 134.36 47.6 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.233 0.54 . . . . 10.0 111.354 -178.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.0 p -103.37 166.94 10.13 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.493 -0.776 . . . . 10.0 110.199 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.9 mt -67.89 -17.84 64.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.13 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.03 -2.31 51.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.348 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.98 16.36 61.29 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.784 -0.722 . . . . 10.0 112.792 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HE2' HG12 ' A' ' 13' ' ' ILE . 68.9 tttt -100.35 139.14 36.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.734 0.302 . . . . 10.0 110.74 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 m -113.04 121.42 44.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.091 -0.504 . . . . 10.0 109.831 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.415 HG12 ' HE2' ' A' ' 11' ' ' LYS . 19.4 mt -105.71 128.65 59.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.95 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.83 117.96 30.8 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.606 -0.516 . . . . 10.0 109.606 178.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.6 mt -117.28 150.95 37.94 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.996 0.427 . . . . 10.0 111.883 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -99.84 111.65 23.96 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.413 -0.812 . . . . 10.0 109.097 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.519 ' O ' ' HG2' ' A' ' 1' ' ' MET . 14.1 m -139.38 167.57 19.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.112 -179.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.471 ' O ' HD12 ' A' ' 56' ' ' LEU . 19.6 mm-40 -127.63 157.99 71.46 Favored Pre-proline 0 C--N 1.318 -0.801 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.91 -27.37 34.9 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 122.698 2.266 . . . . 10.0 113.403 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.84 2.85 47.65 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.994 0.368 . . . . 10.0 111.994 -179.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -79.42 154.78 28.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.648 0.261 . . . . 10.0 110.93 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.1 p -101.06 149.37 24.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.069 -179.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.6 mm -56.65 -43.35 78.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.166 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.82 -33.24 74.8 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.778 0.323 . . . . 10.0 110.71 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -71.83 -39.21 69.92 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.568 -0.531 . . . . 10.0 109.568 179.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 22' ' ' THR . 75.8 t -62.03 -42.98 96.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.806 -0.633 . . . . 10.0 109.836 178.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -62.8 -36.07 81.94 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.18 0.514 . . . . 10.0 110.104 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.39 -35.83 82.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.098 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.85 -30.6 71.24 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 109.587 -0.523 . . . . 10.0 109.587 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.4 mt -69.72 -32.42 52.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 108.585 -0.894 . . . . 10.0 108.585 177.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -71.59 -28.84 64.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.353 -0.84 . . . . 10.0 109.408 178.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -71.8 -30.34 65.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.465 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.5 mmtt -93.96 -57.94 2.39 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.72 0.637 . . . . 10.0 112.72 -178.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -92.25 -29.67 16.29 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.736 0.643 . . . . 10.0 112.736 -177.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.17 54.86 3.92 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.387 -0.911 . . . . 10.0 112.087 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.5 mt -118.02 131.65 24.07 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 109.835 -0.431 . . . . 10.0 109.835 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.61 123.46 13.4 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.846 2.364 . . . . 10.0 112.756 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -57.23 -25.04 62.59 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.992 2.461 . . . . 10.0 113.362 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -62.79 -39.37 94.03 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.929 0.395 . . . . 10.0 111.416 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.473 ' O ' ' HA ' ' A' ' 71' ' ' LEU . 64.8 mt-30 -90.34 1.21 56.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.123 -178.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -89.08 107.58 19.12 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.724 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -112.75 105.21 13.3 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.314 -0.624 . . . . 10.0 109.314 178.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.508 ' HB3' HD12 ' A' ' 50' ' ' LEU . 31.0 mt -89.6 136.53 32.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.305 -179.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 58.2 mt -129.5 131.16 67.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.694 -0.684 . . . . 10.0 109.726 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.41 ' HB3' HD21 ' A' ' 50' ' ' LEU . 42.0 t80 -129.36 119.54 24.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.66 -0.245 . . . . 10.0 110.409 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.63 31.85 21.54 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.158 -0.473 . . . . 10.0 111.334 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.99 -7.96 75.37 Favored Glycine 0 C--O 1.229 -0.165 0 C-N-CA 120.794 -0.717 . . . . 10.0 112.412 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -95.55 129.65 42.66 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.281 -0.266 . . . . 10.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -76.68 131.37 38.77 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.718 -0.475 . . . . 10.0 109.718 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.508 HD12 ' HB3' ' A' ' 43' ' ' LEU . 21.5 mt -90.4 122.79 33.58 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.843 0.354 . . . . 10.0 110.872 -179.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.429 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 40.0 mt-10 -84.54 153.45 23.26 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.041 -0.527 . . . . 10.0 109.82 179.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.52 -44.56 93.88 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.348 0.499 . . . . 10.0 112.348 -178.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.63 43.36 3.05 Favored Glycine 0 CA--C 1.518 0.235 0 C-N-CA 120.98 -0.628 . . . . 10.0 113.563 -178.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.429 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 21.5 mmt180 -132.63 160.3 37.06 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.116 -0.327 . . . . 10.0 110.116 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 79.1 p -105.73 173.38 6.33 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.876 -0.416 . . . . 10.0 109.876 178.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.471 HD12 ' O ' ' A' ' 18' ' ' GLU . 29.5 mt -69.5 -30.1 67.89 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.247 0.546 . . . . 10.0 109.82 178.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.0 m -73.38 -22.15 60.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.615 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.473 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.1 m-20 -60.92 -37.65 83.02 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.874 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -105.11 11.26 33.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.734 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 57.9 t30 57.63 42.19 24.36 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.34 0.591 . . . . 10.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 92.4 mt -81.18 132.26 31.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.447 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -121.02 -163.52 1.04 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.609 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.456 ' HE3' ' OE2' ' A' ' 64' ' ' GLU . 58.6 pttt -73.51 155.03 39.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.616 0.246 . . . . 10.0 110.622 179.341 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.456 ' OE2' ' HE3' ' A' ' 63' ' ' LYS . 36.1 mt-10 67.17 8.72 6.4 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.719 -0.673 . . . . 10.0 112.277 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.9 m -70.64 127.84 34.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.771 0.319 . . . . 10.0 110.591 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.578 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 83.8 m -93.94 110.86 22.51 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.841 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mp -99.6 142.05 31.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.553 -0.749 . . . . 10.0 109.827 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -100.81 127.11 47.39 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 110.14 -0.319 . . . . 10.0 110.14 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.5 tp -107.33 114.71 28.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.027 0.442 . . . . 10.0 110.711 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 39.5 t -112.26 134.41 54.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.853 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.473 ' HA ' ' O ' ' A' ' 40' ' ' GLN . 72.4 mt -101.52 140.16 36.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.847 0.356 . . . . 10.0 110.493 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.428 ' NH2' ' HA ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -107.36 125.12 50.8 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.752 -179.636 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.9 mt -90.57 127.0 36.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.778 0.323 . . . . 10.0 110.402 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.428 ' HA ' ' NH2' ' A' ' 72' ' ' ARG . 34.2 ttm-85 -103.25 119.47 38.92 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.394 -179.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.26 43.4 79.78 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.891 -0.671 . . . . 10.0 112.503 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.067 -1.407 . . . . 10.0 111.052 179.857 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.438 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 25.6 ptt? . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 109.931 -0.396 . . . . 10.0 109.931 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -104.17 137.8 41.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.751 0.31 . . . . 10.0 111.333 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 20.9 pt -122.57 160.06 25.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.707 -0.479 . . . . 10.0 109.707 178.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -119.24 109.18 15.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.951 0.405 . . . . 10.0 111.215 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 52.3 t -93.77 120.73 43.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.159 -0.473 . . . . 10.0 109.806 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -103.19 125.35 49.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.091 0.472 . . . . 10.0 111.195 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -98.16 158.22 15.68 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.891 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 80.2 mt -59.91 -14.83 17.36 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 122.692 0.397 . . . . 10.0 112.001 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.5 p -84.44 -3.6 58.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.264 -0.425 . . . . 10.0 111.707 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.3 19.42 57.1 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 10.0 111.364 -179.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -102.16 129.76 48.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.646 -0.277 . . . . 10.0 110.336 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -113.63 112.79 24.09 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.874 -0.417 . . . . 10.0 109.874 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 8.7 mt -102.67 142.33 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.606 -178.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.0 137.96 37.73 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.112 178.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 67.5 mt -138.87 131.56 29.06 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.672 -0.24 . . . . 10.0 111.016 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -82.62 114.98 21.37 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.056 -0.72 . . . . 10.0 109.056 178.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.438 ' O ' ' HG2' ' B' ' 1' ' ' MET . 16.5 m -134.58 171.13 18.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.855 -0.612 . . . . 10.0 110.448 -179.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.472 ' O ' HD12 ' B' ' 56' ' ' LEU . 15.4 mm-40 -133.09 159.79 71.25 Favored Pre-proline 0 C--N 1.32 -0.694 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 179.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.79 -27.73 54.05 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.412 2.075 . . . . 10.0 112.594 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.35 -2.06 57.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.137 -0.483 . . . . 10.0 112.133 -179.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -76.01 146.13 39.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.742 0.306 . . . . 10.0 110.306 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.461 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.1 OUTLIER -98.23 149.79 22.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.009 -179.301 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 51.8 mm -57.48 -36.94 55.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.037 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -62.47 -41.65 98.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.386 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.419 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 62.4 t30 -69.21 -37.27 77.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.826 0.346 . . . . 10.0 110.523 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 22' ' ' THR . 88.8 t -59.83 -41.38 85.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.213 -0.449 . . . . 10.0 109.855 179.004 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -66.76 -33.45 75.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.594 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.22 -31.14 72.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.074 0.464 . . . . 10.0 110.111 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 91.3 mttt -69.2 -38.04 78.42 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.891 179.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 49.2 mt -71.64 -28.16 30.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 178.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.51 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 33.4 tt0 -74.16 -22.57 59.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.628 178.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -80.85 -46.57 15.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.034 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -74.48 -65.69 0.83 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.804 -0.635 . . . . 10.0 111.631 -179.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -81.04 -54.26 5.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.154 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.51 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 105.8 44.83 1.36 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.481 -0.866 . . . . 10.0 112.338 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.8 mt -105.39 123.68 38.8 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 109.969 -0.382 . . . . 10.0 109.969 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 52.7 Cg_exo -54.46 140.96 74.14 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.579 2.186 . . . . 10.0 112.164 179.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 32.1 Cg_exo -57.76 -21.01 45.89 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.892 2.394 . . . . 10.0 112.869 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.56 -32.01 62.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.588 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.506 ' HA ' ' HG2' ' B' ' 72' ' ' ARG . 68.5 mt-30 -91.98 -19.31 22.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.083 0.468 . . . . 10.0 110.442 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -79.12 97.97 6.37 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.453 -0.794 . . . . 10.0 111.606 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -103.46 99.22 9.04 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.37 -0.604 . . . . 10.0 109.37 178.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.464 ' HB3' HD12 ' B' ' 50' ' ' LEU . 70.4 mt -82.49 126.42 32.23 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.168 0.508 . . . . 10.0 111.186 -179.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.463 HG12 ' CZ ' ' D' ' 468' ' ' PHE . 1.4 mp -122.97 147.4 27.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.43 -0.804 . . . . 10.0 109.531 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -140.53 118.53 11.87 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.904 -0.406 . . . . 10.0 109.904 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.89 21.52 11.72 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.898 179.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.56 18.33 38.75 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.582 -0.818 . . . . 10.0 113.059 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -132.37 163.1 29.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.477 -0.426 . . . . 10.0 110.136 179.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.71 146.33 25.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.974 0.416 . . . . 10.0 111.259 -179.176 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.464 HD12 ' HB3' ' B' ' 43' ' ' LEU . 61.4 mt -95.35 123.22 38.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.903 -0.589 . . . . 10.0 109.687 178.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -71.77 127.51 32.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.864 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.65 -33.28 72.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.366 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.12 33.2 4.58 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.183 -0.532 . . . . 10.0 112.66 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 77.5 mmt-85 -135.36 170.78 15.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.948 0.404 . . . . 10.0 110.403 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 40.2 p -108.86 175.08 5.59 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.958 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.472 HD12 ' O ' ' B' ' 18' ' ' GLU . 47.9 mt -70.48 -28.06 64.7 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.537 179.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 15.5 m -67.73 -27.63 66.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.822 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -59.07 -42.93 91.54 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.141 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -98.0 10.05 41.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.803 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 52.3 t30 56.67 40.07 29.43 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.458 -0.792 . . . . 10.0 111.692 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 90.3 mt -74.26 116.86 17.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -103.89 -170.84 1.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.504 -178.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 48.6 pttt -70.9 146.87 49.31 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.737 -0.665 . . . . 10.0 110.778 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 59.98 34.58 21.52 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.672 -0.694 . . . . 10.0 112.297 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 22.3 m -95.66 142.05 28.42 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.22 -0.289 . . . . 10.0 110.22 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 29.4 m -88.26 119.94 29.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.935 0.398 . . . . 10.0 111.255 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -102.23 135.53 43.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.81 -0.632 . . . . 10.0 109.415 178.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -89.65 129.8 36.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.779 0.323 . . . . 10.0 110.427 -179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 49.7 tp -116.97 110.86 18.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.932 0.396 . . . . 10.0 110.388 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.45 HG13 ' HB ' ' D' ' 490' ' ' THR . 74.2 t -99.64 132.51 44.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.901 -0.591 . . . . 10.0 110.801 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 30.2 mt -87.03 133.06 33.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.086 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.568 ' HB2' ' OD1' ' D' ' 491' ' ' ASP . 0.0 OUTLIER -114.77 147.53 39.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.979 0.419 . . . . 10.0 110.556 179.657 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.41 HD12 ' CG1' ' D' ' 488' ' ' ILE . 31.3 mt -119.62 -164.57 1.08 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.345 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -108.65 93.08 4.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.988 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 153.95 39.79 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.833 -0.699 . . . . 10.0 112.108 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . 0.445 ' HA2' ' NH2' ' D' ' 497' ' ' ARG . . . . . . . . 0 C--O 1.251 1.181 0 CA-C-O 118.196 -1.335 . . . . 10.0 111.562 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 453' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' D' ' 454' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 120.329 0.109 . . . . 10.0 110.847 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 454' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' D' ' 453' ' ' SER . 6.8 m-20 67.82 27.3 7.43 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.532 0.52 . . . . 10.0 111.298 179.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.88 -43.86 97.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.803 0.335 . . . . 10.0 111.365 -179.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -67.56 -41.32 84.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.049 0.452 . . . . 10.0 110.514 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 71.8 mt -66.96 -37.02 83.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.883 -0.599 . . . . 10.0 109.937 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -63.33 -37.65 88.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.487 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.71 94.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.754 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 48.2 mtm -73.67 -44.61 56.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.585 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.46 -35.99 79.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.76 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -57.27 -40.58 78.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.674 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -72.1 -35.8 69.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.064 0.459 . . . . 10.0 110.503 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 464' ' ' ILE . . . . . 0.608 HG23 HG23 ' D' ' 490' ' ' THR . 93.6 mt -68.94 -34.57 64.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.484 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -62.01 -29.2 70.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.372 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -73.38 -36.37 66.07 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.535 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 22.9 mmt -71.19 -42.02 69.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.615 -179.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 468' ' ' PHE . . . . . 0.463 ' CZ ' HG12 ' B' ' 44' ' ' ILE . 16.2 m-85 -123.19 83.2 51.61 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.387 179.24 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -75.84 45.24 1.45 Allowed 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 122.464 2.109 . . . . 10.0 112.986 -179.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -157.24 23.21 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.36 . . . . 10.0 111.239 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 471' ' ' VAL . . . . . 0.446 HG12 ' O ' ' D' ' 468' ' ' PHE . 7.3 p -120.48 132.02 24.27 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 110.039 -0.356 . . . . 10.0 110.039 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 472' ' ' PRO . . . . . 0.488 ' HD3' ' HG3' ' D' ' 501' ' ' PRO . 49.5 Cg_exo -57.2 122.97 12.73 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.565 2.176 . . . . 10.0 112.302 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -55.36 -38.46 68.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.439 -0.8 . . . . 10.0 112.075 -178.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 31.3 p-80 -65.54 -24.82 67.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.746 0.308 . . . . 10.0 111.072 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 33.4 mt -83.22 -32.52 26.45 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.583 -0.525 . . . . 10.0 109.583 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 40.6 t -66.98 -45.31 87.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 109.343 -0.614 . . . . 10.0 109.343 178.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 46.8 mt -63.51 -25.26 68.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.567 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -63.82 -55.66 21.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.357 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -68.65 -29.28 67.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.798 0.332 . . . . 10.0 110.511 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.11 -23.07 66.32 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.156 178.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -92.59 -17.91 23.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.064 -0.517 . . . . 10.0 109.93 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -88.72 -59.16 2.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.202 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 67.1 p -90.46 -42.31 10.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.641 -178.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 64.48 41.02 5.86 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.453 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 12.3 t -154.49 124.68 6.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.665 -179.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 486' ' ' VAL . . . . . 0.41 HG12 HD11 ' D' ' 464' ' ' ILE . 34.4 m -66.58 -24.64 33.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.904 0.383 . . . . 10.0 111.246 -179.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -78.9 -5.23 53.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.079 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 488' ' ' ILE . . . . . 0.41 ' CG1' HD12 ' B' ' 73' ' ' LEU . 53.4 mt -116.65 -44.75 3.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 110.083 -0.34 . . . . 10.0 110.083 179.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 86.9 m -58.0 -67.19 0.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.039 -0.528 . . . . 10.0 112.004 -178.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 490' ' ' THR . . . . . 0.608 HG23 HG23 ' D' ' 464' ' ' ILE . 0.3 OUTLIER -55.61 -37.63 68.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.995 0.426 . . . . 10.0 111.67 -179.119 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 491' ' ' ASP . . . . . 0.568 ' OD1' ' HB2' ' B' ' 72' ' ' ARG . 24.0 t70 -68.64 -55.52 11.22 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.918 -179.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.34 -31.5 69.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.629 -179.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 75.6 mt -64.82 -41.84 93.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 109.33 -0.618 . . . . 10.0 109.33 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.39 -39.55 91.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.476 -0.784 . . . . 10.0 110.886 179.392 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -74.3 -50.16 20.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.791 -0.641 . . . . 10.0 111.232 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 136.45 84.56 0.16 Allowed Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.86 -0.686 . . . . 10.0 111.951 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 497' ' ' ARG . . . . . 0.448 ' HB3' HD12 ' D' ' 498' ' ' ILE . 2.2 tpp180 -133.18 -48.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.932 0.396 . . . . 10.0 110.261 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 498' ' ' ILE . . . . . 0.448 HD12 ' HB3' ' D' ' 497' ' ' ARG . 3.8 mp -95.87 143.82 11.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -59.58 143.97 48.85 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.944 0.402 . . . . 10.0 111.018 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 20.5 m -95.78 165.33 16.76 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.556 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 501' ' ' PRO . . . . . 0.488 ' HG3' ' HD3' ' D' ' 472' ' ' PRO . 12.0 Cg_exo -71.14 67.68 2.55 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.756 2.304 . . . . 10.0 112.297 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -78.42 123.61 85.68 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.332 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -68.73 101.72 0.8 Allowed 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.587 2.191 . . . . 10.0 111.966 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 6.6 t . . . . . 0 C--O 1.252 1.192 0 CA-C-O 118.099 -0.953 . . . . 10.0 110.085 -179.939 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.482 1.15 0 N-CA-C 109.818 -0.438 . . . . 10.0 109.818 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -105.86 135.36 47.43 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.941 0.401 . . . . 10.0 111.25 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.4 pt -115.73 162.71 13.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.817 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.458 ' O ' ' HA ' ' A' ' 66' ' ' THR . 55.6 m-85 -117.75 109.5 16.68 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.894 0.378 . . . . 10.0 110.678 -179.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 37.2 t -96.84 113.32 30.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.158 -0.474 . . . . 10.0 109.894 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.9 tttp -96.77 125.95 41.58 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.901 0.382 . . . . 10.0 111.178 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.41 157.34 15.95 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.624 178.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 38.6 mt -60.84 -16.65 43.55 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.928 0.394 . . . . 10.0 111.808 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.13 -13.22 60.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.351 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.39 9.54 55.11 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.969 -0.634 . . . . 10.0 111.658 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -97.74 131.99 43.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.658 0.266 . . . . 10.0 110.409 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.1 m -112.05 114.26 27.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.225 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.6 mt -94.45 144.09 10.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.935 -178.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -111.88 118.24 34.96 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.754 -0.462 . . . . 10.0 109.754 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.2 mt -120.93 150.3 41.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.782 0.325 . . . . 10.0 111.529 -178.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -95.66 115.34 27.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.771 -0.65 . . . . 10.0 109.481 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.2 m -140.74 179.43 2.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.148 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.501 ' O ' HD12 ' A' ' 56' ' ' LEU . 6.2 mm-40 -140.84 155.71 69.0 Favored Pre-proline 0 C--N 1.32 -0.698 0 N-CA-C 108.095 -1.076 . . . . 10.0 108.095 178.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -50.9 -30.71 31.2 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.501 2.134 . . . . 10.0 113.366 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.73 0.73 25.63 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.55 0.574 . . . . 10.0 112.55 -179.11 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -83.3 152.05 25.3 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.748 0.309 . . . . 10.0 110.394 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.456 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -99.07 150.48 21.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.871 -179.54 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.1 mm -58.4 -34.69 51.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.021 0.438 . . . . 10.0 110.613 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -59.83 -44.38 94.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.467 178.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -68.28 -37.93 81.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.327 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 22' ' ' THR . 60.5 t -62.24 -42.34 94.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.255 -0.429 . . . . 10.0 109.873 179.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -63.84 -36.61 84.46 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.068 -0.515 . . . . 10.0 109.955 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.23 -36.44 83.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.975 178.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -65.25 -36.95 85.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.035 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.7 mt -69.63 -37.93 75.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.248 -0.649 . . . . 10.0 109.248 178.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -66.33 -35.08 79.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.49 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -68.85 -33.32 73.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.809 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -92.21 -62.34 1.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.385 0.513 . . . . 10.0 112.385 -179.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -69.62 -46.52 66.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.745 0.307 . . . . 10.0 111.09 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.01 -3.19 31.62 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.553 -0.832 . . . . 10.0 112.345 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 34.4 mt -78.66 126.27 82.94 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 110.557 -0.164 . . . . 10.0 110.557 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -59.74 143.82 99.56 Favored 'Trans proline' 0 CA--C 1.529 0.265 0 C-N-CA 122.492 2.128 . . . . 10.0 112.137 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -68.17 -8.51 23.03 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.963 2.442 . . . . 10.0 113.417 -178.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -72.18 -38.91 68.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.073 0.464 . . . . 10.0 111.008 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -90.29 -11.23 41.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.357 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -74.3 111.11 9.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.44 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' A' ' 42' ' ' ARG . 10.2 mmt85 -112.27 99.01 7.69 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.153 -0.684 . . . . 10.0 109.153 178.201 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.436 ' HB3' HD12 ' A' ' 50' ' ' LEU . 30.1 mt -89.01 127.59 35.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.881 -0.599 . . . . 10.0 111.396 -179.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mp -126.96 134.54 65.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.698 -0.683 . . . . 10.0 109.328 179.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -115.03 98.19 6.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.577 0.227 . . . . 10.0 110.723 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.44 55.35 7.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.737 -0.665 . . . . 10.0 112.465 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.35 12.18 84.81 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.908 -0.663 . . . . 10.0 113.477 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -123.22 111.22 16.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.757 0.278 . . . . 10.0 110.489 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -65.53 130.08 42.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.363 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.436 HD12 ' HB3' ' A' ' 43' ' ' LEU . 14.6 mt -93.9 135.49 35.18 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.802 0.334 . . . . 10.0 110.858 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.401 ' CD ' ' HE ' ' A' ' 54' ' ' ARG . 4.1 mt-10 -100.56 152.33 20.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.168 179.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.95 -45.96 89.19 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.517 0.562 . . . . 10.0 112.517 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.28 27.0 2.46 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 121.028 -0.606 . . . . 10.0 114.392 -178.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.402 ' HG3' ' OH ' ' A' ' 59' ' ' TYR . 22.8 mmt180 -120.54 153.76 36.28 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.217 0.509 . . . . 10.0 110.383 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.1 p -99.08 165.96 11.48 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.652 -0.499 . . . . 10.0 109.652 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.501 HD12 ' O ' ' A' ' 18' ' ' GLU . 97.4 mt -64.18 -32.36 73.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.027 0.441 . . . . 10.0 110.01 179.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.86 -22.25 64.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.17 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -70.0 -22.23 63.15 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.352 -0.386 . . . . 10.0 111.434 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.402 ' OH ' ' HG3' ' A' ' 54' ' ' ARG . 90.1 m-85 -113.94 11.45 17.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.63 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 61.5 30.98 19.03 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.387 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 85.9 mt -77.75 111.71 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.378 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -103.88 -165.23 1.13 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.855 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -71.25 150.3 45.38 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.928 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 64.49 17.74 10.99 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.625 -0.716 . . . . 10.0 112.535 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.6 m -79.96 141.35 36.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.688 0.28 . . . . 10.0 110.662 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.458 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 1.9 m -98.79 127.16 44.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.119 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -111.24 144.2 40.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.904 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -98.99 125.58 44.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.64 -0.254 . . . . 10.0 110.583 -179.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.4 tp -108.17 109.24 20.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.14 0.495 . . . . 10.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 28.4 t -107.71 146.5 13.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.777 -0.647 . . . . 10.0 109.643 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.5 mt -113.72 137.88 51.0 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.241 -0.281 . . . . 10.0 110.241 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.56 139.32 36.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.365 -0.38 . . . . 10.0 110.697 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.7 mt -98.06 174.2 6.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.426 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 38.6 mtm180 -116.1 -93.03 0.5 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.829 0.347 . . . . 10.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -94.09 95.01 1.88 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.786 -0.721 . . . . 10.0 112.343 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.454 ' C ' ' HZ2' ' B' ' 48' ' ' LYS . . . . . . . . 0 C--O 1.247 0.939 0 CA-C-O 117.976 -1.458 . . . . 10.0 110.874 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.4 ptt? . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 110.176 -0.305 . . . . 10.0 110.176 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -103.89 145.08 30.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.881 0.372 . . . . 10.0 111.25 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 18.3 pt -132.2 158.99 43.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.058 -0.519 . . . . 10.0 109.675 178.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -119.06 103.49 9.6 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.711 0.291 . . . . 10.0 110.422 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 37.0 t -93.0 120.34 42.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.162 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -99.92 151.7 21.01 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.781 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 12.4 p -127.3 160.97 29.71 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.361 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.562 HD23 ' HG3' ' D' ' 467' ' ' MET . 25.2 mt -62.7 -23.11 66.98 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.086 0.469 . . . . 10.0 110.906 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.41 -14.79 60.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.409 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.95 18.1 45.04 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.938 -0.649 . . . . 10.0 112.116 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -101.01 133.31 45.7 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.68 0.276 . . . . 10.0 110.552 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 21.8 m -101.32 119.51 38.87 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.228 -0.442 . . . . 10.0 109.912 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 26.1 mt -101.95 123.14 54.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.794 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.78 126.37 47.34 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.888 -0.597 . . . . 10.0 109.844 178.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.9 mt -136.83 151.23 48.9 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.005 0.431 . . . . 10.0 111.485 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -87.78 116.39 25.9 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.479 -0.782 . . . . 10.0 110.286 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 18.7 m -138.91 167.71 20.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.065 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.545 ' O ' HD12 ' B' ' 56' ' ' LEU . 10.3 mm-40 -139.07 158.88 68.74 Favored Pre-proline 0 C--N 1.32 -0.712 0 N-CA-C 108.927 -0.768 . . . . 10.0 108.927 179.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.29 -25.53 30.97 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.521 2.147 . . . . 10.0 113.287 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -87.01 1.14 53.82 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.249 0.462 . . . . 10.0 112.249 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -76.71 157.2 31.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.805 0.336 . . . . 10.0 110.405 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.451 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.2 OUTLIER -104.48 144.41 31.71 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.635 -179.15 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.406 HG12 ' O ' ' B' ' 54' ' ' ARG . 43.2 mm -56.31 -41.42 70.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-O 120.791 0.329 . . . . 10.0 110.689 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -60.85 -41.98 96.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.171 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -66.01 -38.12 87.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.376 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 22' ' ' THR . 94.8 t -59.34 -44.26 91.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -63.61 -35.22 79.81 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.308 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.36 -34.0 77.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.127 0.489 . . . . 10.0 109.926 178.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -69.91 -36.17 75.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.775 -0.648 . . . . 10.0 109.844 178.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 69.1 mt -70.2 -33.2 53.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.461 -0.57 . . . . 10.0 109.461 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -67.83 -23.59 65.19 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.57 -0.741 . . . . 10.0 110.303 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -73.38 -44.73 57.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.496 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -80.69 -53.13 6.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.809 -0.632 . . . . 10.0 112.103 -178.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -80.03 -60.69 2.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.622 0.248 . . . . 10.0 111.318 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.91 -5.47 13.84 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.474 -0.87 . . . . 10.0 112.402 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.2 mt -76.81 126.94 85.14 Favored Pre-proline 0 C--N 1.329 -0.314 0 N-CA-C 110.3 -0.259 . . . . 10.0 110.3 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 50.3 Cg_exo -55.12 138.05 78.01 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.851 2.367 . . . . 10.0 112.387 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 50.1 Cg_exo -55.58 -24.71 46.22 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.228 2.619 . . . . 10.0 113.093 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.05 -29.82 70.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.124 0.488 . . . . 10.0 111.02 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -100.76 5.64 43.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.037 -0.528 . . . . 10.0 110.953 -179.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -96.06 115.28 27.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.664 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.512 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 34.5 mtp180 -109.61 105.08 14.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.107 179.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 28.5 mt -90.57 123.33 34.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.008 0.432 . . . . 10.0 111.183 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -118.74 132.67 67.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.31 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.404 ' CB ' HD21 ' B' ' 50' ' ' LEU . 62.5 t80 -121.25 112.92 19.22 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.914 -0.585 . . . . 10.0 109.699 179.211 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.35 22.81 8.21 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.716 -0.674 . . . . 10.0 112.641 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.61 0.59 43.07 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.594 -0.812 . . . . 10.0 113.792 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.454 ' HZ2' ' C ' ' A' ' 76' ' ' GLY . 0.6 OUTLIER -117.99 146.36 44.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 117.145 0.472 . . . . 10.0 110.401 179.742 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.418 HE21 ' HB3' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -84.08 142.56 30.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.94 0.4 . . . . 10.0 110.941 -179.527 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.404 HD21 ' CB ' ' B' ' 45' ' ' PHE . 30.8 mt -95.48 123.91 39.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.081 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.46 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 15.6 mt-10 -76.73 142.37 40.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.31 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.13 -54.33 21.41 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.951 0.723 . . . . 10.0 112.951 -178.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.59 51.38 4.4 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.001 -0.618 . . . . 10.0 113.99 -178.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.46 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 31.4 mmt180 -135.86 158.08 45.29 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.978 -0.379 . . . . 10.0 109.978 179.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.443 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 23.5 p -101.59 163.12 12.42 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.545 HD12 ' O ' ' B' ' 18' ' ' GLU . 90.4 mt -64.43 -29.93 70.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.008 0.432 . . . . 10.0 110.663 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 5.1 p -75.26 -16.45 60.45 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.877 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' B' ' 55' ' ' THR . 17.2 m-20 -68.71 -28.02 66.47 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.145 0.498 . . . . 10.0 110.612 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -108.45 16.15 23.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.601 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 57.63 33.81 23.71 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.537 -0.756 . . . . 10.0 112.161 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 76.2 mt -76.18 115.63 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 N-CA-C 109.581 -0.526 . . . . 10.0 109.581 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -101.18 -173.86 2.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.461 -178.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 44.1 pttt -66.43 137.63 56.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.658 -0.701 . . . . 10.0 111.131 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 61.91 65.01 0.94 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.915 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.0 m -119.41 146.78 45.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.563 -0.744 . . . . 10.0 110.453 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 92.5 m -91.02 127.9 36.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.979 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -119.26 137.61 53.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.474 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 28.4 m80 -102.28 120.83 41.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.875 0.369 . . . . 10.0 110.837 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 55.2 tp -102.02 97.62 7.93 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.891 -0.411 . . . . 10.0 109.891 179.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.512 ' HB ' ' HB2' ' B' ' 42' ' ' ARG . 70.1 t -76.57 119.47 24.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.278 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 27.6 mt -78.21 130.91 36.86 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.6 -0.727 . . . . 10.0 110.249 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.87 147.62 49.41 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.888 HD11 HG12 ' D' ' 488' ' ' ILE . 1.8 pp -131.11 162.37 30.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.749 0.309 . . . . 10.0 110.553 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 17.6 ptt180 -115.42 -29.09 6.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.364 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 118.0 44.89 0.52 Allowed Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.621 -0.718 . . . . 10.0 111.525 -179.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 119.205 -0.775 . . . . 10.0 111.214 -179.634 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 120.435 0.16 . . . . 10.0 110.682 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 68.55 13.53 8.96 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 122.984 0.513 . . . . 10.0 111.892 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.98 -51.99 65.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.978 0.418 . . . . 10.0 111.048 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 456' ' ' GLN . . . . . 0.482 ' O ' ' HB2' ' D' ' 460' ' ' MET . 69.8 mm-40 -66.77 -34.61 78.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.969 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.1 -49.02 66.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.788 0.327 . . . . 10.0 110.417 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -63.72 -42.88 97.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.561 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.79 -41.35 97.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.892 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 460' ' ' MET . . . . . 0.482 ' HB2' ' O ' ' D' ' 456' ' ' GLN . 9.5 ttm -64.76 -40.5 95.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.185 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -66.85 -30.17 70.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.865 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 53.3 t60 -60.94 -34.74 75.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.901 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -66.39 -38.62 87.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.935 -0.575 . . . . 10.0 109.847 179.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 57.5 mt -72.51 -35.4 51.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.706 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 41.8 tp60 -60.23 -31.17 69.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.05 0.453 . . . . 10.0 110.74 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -80.57 -23.8 39.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.805 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . 0.562 ' HG3' HD23 ' B' ' 8' ' ' LEU . 87.6 mmm -87.94 -33.79 18.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.832 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 468' ' ' PHE . . . . . 0.449 ' O ' HG12 ' D' ' 471' ' ' VAL . 0.1 OUTLIER -123.96 81.79 56.26 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.869 179.548 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -76.69 44.06 1.35 Allowed 'Trans proline' 0 CA--C 1.529 0.24 0 C-N-CA 123.134 2.556 . . . . 10.0 113.039 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -156.68 24.98 0.33 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.831 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 471' ' ' VAL . . . . . 0.449 HG12 ' O ' ' D' ' 468' ' ' PHE . 12.0 p -128.81 134.54 26.42 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.476 -0.329 . . . . 10.0 110.459 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 472' ' ' PRO . . . . . 0.442 ' HG2' HD12 ' D' ' 475' ' ' LEU . 32.4 Cg_exo -61.37 127.25 21.39 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.719 2.279 . . . . 10.0 112.09 179.179 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -52.71 -45.0 66.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.611 -0.722 . . . . 10.0 112.559 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 31.5 p-80 -62.92 -31.73 72.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.631 0.253 . . . . 10.0 111.572 -178.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 475' ' ' LEU . . . . . 0.442 HD12 ' HG2' ' D' ' 472' ' ' PRO . 13.2 mt -74.8 -31.6 61.76 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.857 -0.337 . . . . 10.0 110.191 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 476' ' ' VAL . . . . . 0.442 HG23 ' O ' ' D' ' 472' ' ' PRO . 35.5 t -67.92 -41.3 84.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 108.673 -0.862 . . . . 10.0 108.673 178.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.22 -28.7 70.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.342 -0.845 . . . . 10.0 110.445 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -62.53 -57.68 10.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.422 179.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 479' ' ' ASP . . . . . 0.49 ' HB3' HG23 ' D' ' 489' ' ' THR . 12.6 t70 -64.87 -34.55 78.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.511 -179.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.11 -28.9 66.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.146 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -85.7 -9.33 57.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.145 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 482' ' ' LEU . . . . . 0.483 ' HA ' HD13 ' D' ' 482' ' ' LEU . 2.1 mm? -105.92 -51.9 2.9 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.779 0.289 . . . . 10.0 111.779 -179.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 69.5 p -89.22 -37.2 15.16 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.598 0.222 . . . . 10.0 111.598 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 63.82 33.42 12.73 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.131 -0.486 . . . . 10.0 112.006 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 485' ' ' SER . . . . . 0.466 ' OG ' HG13 ' D' ' 488' ' ' ILE . 1.1 t -147.17 132.0 18.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.522 -0.308 . . . . 10.0 110.171 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 18.5 m -63.7 -36.21 75.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.23 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -66.16 -47.05 75.25 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.837 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 488' ' ' ILE . . . . . 0.888 HG12 HD11 ' B' ' 73' ' ' LEU . 14.5 mt -69.03 -43.31 82.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 121.045 -0.262 . . . . 10.0 111.478 -179.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 489' ' ' THR . . . . . 0.506 ' O ' HG13 ' D' ' 493' ' ' ILE . 90.6 m -61.16 -53.19 60.05 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.897 0.332 . . . . 10.0 111.897 -179.109 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 2.8 m -62.22 -36.95 83.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.844 0.354 . . . . 10.0 110.938 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -68.18 -43.9 77.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.088 0.47 . . . . 10.0 109.957 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 492' ' ' ASN . . . . . 0.413 ' HB3' ' HB3' ' D' ' 497' ' ' ARG . 4.9 m-20 -54.12 -41.86 68.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.454 -0.794 . . . . 10.0 110.664 179.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 493' ' ' ILE . . . . . 0.506 HG13 ' O ' ' D' ' 489' ' ' THR . 56.8 mt -61.13 -45.16 99.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.65 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 3.6 mt -66.83 -34.45 77.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.764 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -73.92 -27.02 60.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.929 0.395 . . . . 10.0 110.965 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 111.66 24.24 5.35 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.591 -0.814 . . . . 10.0 112.87 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 497' ' ' ARG . . . . . 0.413 ' HB3' ' HB3' ' D' ' 492' ' ' ASN . 19.3 tpp180 -79.73 -40.49 28.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.238 0.542 . . . . 10.0 109.859 179.35 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 3.1 mp -97.15 127.7 49.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.429 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -61.43 134.01 56.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 20.6 m -83.07 157.83 65.41 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.429 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -66.76 83.63 0.31 Allowed 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.64 2.226 . . . . 10.0 112.335 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -84.01 137.59 40.36 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.242 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -62.11 122.94 11.64 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.743 2.295 . . . . 10.0 112.272 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.01 -0.995 . . . . 10.0 109.804 -179.834 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.549 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 23.3 ptt? . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 110.252 -0.277 . . . . 10.0 110.252 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -104.69 136.37 44.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.593 0.235 . . . . 10.0 110.941 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.5 pt -126.54 158.44 36.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 178.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -118.5 112.73 20.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.746 0.308 . . . . 10.0 111.201 -179.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.8 t -101.74 118.37 48.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.175 -0.466 . . . . 10.0 109.906 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -102.67 135.17 44.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.876 0.369 . . . . 10.0 111.033 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.7 p -101.41 174.61 5.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.674 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.7 mt -73.13 -13.48 61.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.979 0.419 . . . . 10.0 110.887 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 m -87.6 -14.02 41.24 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.107 0.48 . . . . 10.0 110.876 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.72 -13.7 53.53 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.964 -0.636 . . . . 10.0 111.777 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -65.39 121.42 14.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.948 0.404 . . . . 10.0 110.736 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.3 m -103.15 108.6 19.85 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.201 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.2 mt -91.09 126.74 43.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.166 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.6 m -98.32 110.36 22.96 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.697 -0.483 . . . . 10.0 109.697 179.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.8 mt -110.07 149.43 30.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.018 0.437 . . . . 10.0 111.274 -179.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -107.4 108.23 19.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.738 -0.664 . . . . 10.0 109.83 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.549 ' O ' ' HG2' ' A' ' 1' ' ' MET . 12.8 m -136.04 -176.98 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.919 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.528 ' O ' HD12 ' A' ' 56' ' ' LEU . 20.0 mm-40 -131.36 153.57 81.67 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 109.066 -0.716 . . . . 10.0 109.066 179.163 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -53.06 -27.88 38.28 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.542 2.161 . . . . 10.0 112.751 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -80.57 7.45 9.98 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.975 -179.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -89.66 150.75 22.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.773 0.32 . . . . 10.0 110.789 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -90.76 148.04 22.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.13 -0.487 . . . . 10.0 110.736 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 51.6 mm -57.44 -39.22 67.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.035 0.445 . . . . 10.0 110.488 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -60.71 -39.18 87.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.64 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -69.86 -38.0 76.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.35 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.4 t -61.88 -43.38 97.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 10.0 109.885 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -63.62 -35.62 81.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.512 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.33 -28.0 68.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.508 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -78.2 -28.69 48.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.844 -0.616 . . . . 10.0 109.819 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 75.0 mt -71.51 -33.99 51.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.031 -0.729 . . . . 10.0 109.031 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -70.64 -27.21 63.88 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.067 178.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -68.08 -36.22 79.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.025 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -88.03 -67.44 0.83 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.338 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -71.08 -59.14 2.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.304 -178.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.09 -4.47 11.35 Favored Glycine 0 C--O 1.229 -0.186 0 C-N-CA 120.878 -0.677 . . . . 10.0 112.149 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 24.1 mt -69.09 126.24 92.6 Favored Pre-proline 0 C--N 1.327 -0.396 0 N-CA-C 110.368 -0.234 . . . . 10.0 110.368 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.454 ' HB2' ' OD1' ' A' ' 39' ' ' ASP . 32.5 Cg_exo -57.27 145.24 88.24 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.657 2.238 . . . . 10.0 112.054 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 24.3 Cg_exo -61.91 -20.66 70.2 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.853 2.369 . . . . 10.0 113.243 -179.069 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.454 ' OD1' ' HB2' ' A' ' 37' ' ' PRO . 24.8 p30 -85.56 -12.08 52.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.906 0.384 . . . . 10.0 110.942 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -106.9 8.23 30.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.977 -0.556 . . . . 10.0 109.897 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 37' ' ' PRO . 77.3 mt-30 -104.12 125.6 50.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.451 -0.795 . . . . 10.0 110.687 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -120.5 95.37 4.7 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 178.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 mt -85.58 132.5 34.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.174 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 86.8 mt -124.44 135.2 64.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.107 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.528 ' HB3' HD21 ' A' ' 50' ' ' LEU . 87.8 t80 -138.0 125.14 21.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.383 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.77 29.03 18.16 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.026 -0.534 . . . . 10.0 112.078 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.5 3.01 86.91 Favored Glycine 0 C--N 1.329 0.167 0 C-N-CA 120.606 -0.807 . . . . 10.0 113.033 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -116.53 146.28 42.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.774 0.321 . . . . 10.0 110.457 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -84.96 138.34 32.54 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.748 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.528 HD21 ' HB3' ' A' ' 45' ' ' PHE . 31.9 mt -86.56 141.42 29.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.957 0.408 . . . . 10.0 111.113 -179.449 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.441 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 5.4 mt-10 -99.84 149.12 23.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.901 -0.59 . . . . 10.0 109.888 179.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.88 -43.01 99.72 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.028 0.751 . . . . 10.0 113.028 -178.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.89 30.83 3.15 Favored Glycine 0 CA--C 1.516 0.155 0 C-N-CA 120.828 -0.701 . . . . 10.0 113.748 -178.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.441 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 22.5 mmt180 -121.35 159.69 25.57 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.806 0.336 . . . . 10.0 110.531 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.426 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 15.7 p -106.03 165.91 10.87 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.909 -0.587 . . . . 10.0 109.49 178.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.528 HD12 ' O ' ' A' ' 18' ' ' GLU . 94.2 mt -65.08 -33.88 77.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.91 0.386 . . . . 10.0 110.205 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.32 -20.64 63.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.286 179.609 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 55' ' ' THR . 14.7 m-20 -65.41 -37.66 87.61 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.009 0.433 . . . . 10.0 110.475 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -98.09 9.96 41.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.563 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 56.9 t30 63.17 29.91 16.01 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.426 -0.806 . . . . 10.0 110.901 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 86.3 mt -74.56 125.09 33.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.815 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -119.83 -163.52 1.0 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.856 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.445 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 61.7 pttt -73.49 148.63 42.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.05 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 68.51 12.13 8.6 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.375 -0.83 . . . . 10.0 112.136 179.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.4 m -78.24 143.39 37.14 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 110.119 -0.326 . . . . 10.0 110.119 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 m -99.75 132.07 45.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.372 -0.377 . . . . 10.0 111.227 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -121.27 135.78 55.07 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 47.6 m80 -98.52 132.61 43.81 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.625 0.25 . . . . 10.0 110.601 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.9 tp -112.42 111.66 22.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.74 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.7 t -98.72 132.77 43.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.894 -0.593 . . . . 10.0 109.896 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 94.5 mt -75.29 141.24 43.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.266 -0.424 . . . . 10.0 111.023 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.7 ttt180 -105.61 106.91 17.63 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.16 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 24.9 mt -105.03 150.4 24.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.496 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.44 ' HD2' ' OE2' ' B' ' 51' ' ' GLU . 16.6 ttp180 -138.2 89.19 2.37 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.162 0.505 . . . . 10.0 110.626 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 137.94 -70.98 0.47 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.956 -0.64 . . . . 10.0 111.662 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.91 0 CA-C-O 118.605 -1.108 . . . . 10.0 112.058 179.527 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.0 ptt? . . . . . 0 N--CA 1.477 0.896 0 N-CA-C 109.527 -0.545 . . . . 10.0 109.527 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -113.37 156.27 23.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.995 0.426 . . . . 10.0 111.19 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.1 pt -133.72 159.91 42.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.5 -0.773 . . . . 10.0 109.817 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -111.15 95.88 5.8 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.973 0.416 . . . . 10.0 110.791 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 40.2 t -81.75 107.29 13.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -101.19 143.41 31.31 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.728 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.3 p -116.18 163.84 15.37 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.583 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.477 HD23 ' HG3' ' D' ' 467' ' ' MET . 10.1 mt -61.89 -20.63 63.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.097 -0.501 . . . . 10.0 111.56 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.29 1.64 52.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.848 0.356 . . . . 10.0 111.63 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.7 23.89 61.38 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.854 -0.688 . . . . 10.0 113.378 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -102.39 121.36 42.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.907 0.353 . . . . 10.0 110.396 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.8 m -97.21 115.55 27.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.906 0.384 . . . . 10.0 110.105 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 mt -109.27 135.24 48.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 120.804 0.335 . . . . 10.0 111.069 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.97 137.58 51.51 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.103 -0.499 . . . . 10.0 109.809 178.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.5 mt -145.34 148.55 33.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.773 0.321 . . . . 10.0 110.962 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -72.11 123.23 22.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.103 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.439 ' HB ' HD11 ' B' ' 56' ' ' LEU . 3.4 m -136.49 142.09 39.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.963 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.577 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 7.8 mm-40 -103.44 162.53 19.73 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 115.879 -0.601 . . . . 10.0 109.901 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -60.19 -32.34 94.32 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 121.959 1.773 . . . . 10.0 111.573 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.48 10.51 27.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.534 -0.757 . . . . 10.0 111.81 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.577 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.3 OUTLIER -74.82 112.44 11.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.578 -0.283 . . . . 10.0 110.31 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.44 145.47 49.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.397 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.4 mm -53.66 -34.95 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.922 0.392 . . . . 10.0 110.661 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -61.07 -36.28 79.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.731 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.435 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 64.4 t30 -77.35 -36.23 53.96 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.781 -0.452 . . . . 10.0 109.781 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.2 t -60.82 -44.99 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.163 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -63.06 -29.03 70.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.842 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.26 -35.01 71.24 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.024 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 40.7 mttt -69.24 -35.16 75.84 Favored 'General case' 0 C--N 1.334 -0.073 0 CA-C-N 116.022 -0.535 . . . . 10.0 109.894 179.163 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 78.7 mt -66.12 -39.17 83.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.792 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -69.84 -23.99 63.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.228 0.537 . . . . 10.0 109.922 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -69.68 -35.18 74.91 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.267 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -93.28 -52.34 4.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.979 -0.555 . . . . 10.0 112.242 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -80.77 -45.17 17.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.911 0.386 . . . . 10.0 111.897 -178.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.53 -18.46 38.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.813 -0.708 . . . . 10.0 112.001 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 74.0 mt -64.13 124.03 84.1 Favored Pre-proline 0 C--N 1.329 -0.325 0 C-N-CA 122.219 0.208 . . . . 10.0 110.524 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 52.7 Cg_exo -54.0 140.35 69.66 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.846 2.364 . . . . 10.0 112.501 179.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 41.4 Cg_exo -58.16 -23.71 62.96 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.983 2.455 . . . . 10.0 112.862 -179.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -67.27 -26.38 66.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.125 0.488 . . . . 10.0 111.146 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -97.69 6.73 47.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.504 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -100.49 113.42 26.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.262 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.48 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 15.5 ttt180 -109.8 104.67 13.66 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.938 -0.764 . . . . 10.0 108.938 178.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 11.1 mt -89.9 128.63 36.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.458 -177.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -125.81 134.35 66.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.402 -0.817 . . . . 10.0 110.56 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.431 ' HB3' HD21 ' B' ' 50' ' ' LEU . 38.7 t80 -129.44 123.59 31.97 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.996 -0.742 . . . . 10.0 108.996 178.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.35 23.56 13.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.848 -0.614 . . . . 10.0 111.367 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.06 10.85 65.82 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.854 -0.688 . . . . 10.0 113.45 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -125.42 152.1 45.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 117.042 0.421 . . . . 10.0 110.954 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -78.69 148.7 33.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.436 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.431 HD21 ' HB3' ' B' ' 45' ' ' PHE . 33.5 mt -105.85 143.01 34.6 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.792 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.44 ' OE2' ' HD2' ' A' ' 74' ' ' ARG . 16.1 mt-10 -85.49 143.99 28.21 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.428 -0.582 . . . . 10.0 109.428 178.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.23 -38.3 79.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.772 0.32 . . . . 10.0 111.813 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.08 46.32 3.06 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 121.022 -0.608 . . . . 10.0 113.048 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.431 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 21.8 mmt180 -128.4 158.09 39.25 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.366 -0.235 . . . . 10.0 110.366 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 7.1 p -108.28 168.91 8.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.319 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.439 HD11 ' HB ' ' B' ' 17' ' ' VAL . 85.4 mt -65.22 -40.22 93.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.05 0.453 . . . . 10.0 111.106 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.39 -16.39 62.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.685 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -68.3 -36.85 79.97 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.053 0.454 . . . . 10.0 110.601 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -100.25 14.66 30.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.052 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 64.9 t30 57.12 47.5 17.14 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.158 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.0 mt -82.4 116.57 26.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -91.74 -178.36 5.03 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.472 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -76.06 150.64 37.28 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.261 -0.274 . . . . 10.0 110.261 179.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 62.14 35.12 15.86 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 123.564 0.54 . . . . 10.0 111.502 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 26.6 m -96.53 147.28 24.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.938 0.399 . . . . 10.0 110.813 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 49.0 m -87.27 129.04 35.14 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.789 -0.641 . . . . 10.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 4.2 mp -110.82 123.96 51.1 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.57 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 34.5 m80 -88.08 112.58 22.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.046 0.451 . . . . 10.0 111.045 -179.145 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 53.8 tp -100.69 96.79 7.57 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.045 -0.525 . . . . 10.0 109.906 179.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.48 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 89.0 t -77.31 127.01 38.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.249 -179.34 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 30.2 mt -90.07 141.22 28.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.679 -0.691 . . . . 10.0 109.69 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.73 155.91 42.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.772 0.32 . . . . 10.0 111.008 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -106.43 145.13 32.15 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.821 -0.437 . . . . 10.0 109.821 179.072 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' B' ' 74' ' ' ARG . 9.2 mmm180 -118.57 -34.91 3.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.523 -178.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.5 -59.41 2.22 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.645 -0.788 . . . . 10.0 111.844 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.175 0 CA-C-O 118.888 -0.951 . . . . 10.0 111.827 179.635 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.477 0.885 0 CA-C-O 120.423 0.154 . . . . 10.0 110.679 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 65.26 20.52 11.91 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.224 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.72 -44.48 85.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 10.0 111.276 -179.054 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -65.4 -40.46 93.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.888 0.375 . . . . 10.0 110.486 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 84.8 mt -68.75 -38.13 79.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.097 -0.502 . . . . 10.0 110.222 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -65.33 -47.86 75.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.922 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.25 -33.97 76.65 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.798 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 22.2 ttm -68.44 -39.04 81.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.247 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -66.23 -34.49 78.12 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.193 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -57.1 -35.53 69.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.542 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -65.21 -40.03 93.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.517 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 32.8 mt -77.33 -28.62 16.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.611 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -65.18 -26.98 68.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.082 0.467 . . . . 10.0 110.149 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -82.54 -23.71 34.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.784 -0.643 . . . . 10.0 110.269 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . 0.57 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 27.4 mmm -86.08 -36.55 19.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.354 -0.839 . . . . 10.0 110.579 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 468' ' ' PHE . . . . . 0.446 ' O ' HG12 ' D' ' 471' ' ' VAL . 8.8 m-85 -126.72 80.8 69.91 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.389 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -76.78 32.46 0.42 Allowed 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 122.609 2.206 . . . . 10.0 112.744 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -134.27 10.12 3.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.029 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 471' ' ' VAL . . . . . 0.446 HG12 ' O ' ' D' ' 468' ' ' PHE . 13.9 p -122.18 135.6 25.59 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.359 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 472' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -58.25 135.08 65.85 Favored 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 122.677 2.251 . . . . 10.0 112.713 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -56.12 -41.48 75.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.506 -0.77 . . . . 10.0 112.542 -178.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 40.2 p-80 -64.46 -30.89 71.92 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.689 0.255 . . . . 10.0 111.689 -178.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 475' ' ' LEU . . . . . 0.404 ' O ' ' HB3' ' D' ' 478' ' ' GLN . 31.0 mt -74.78 -32.84 62.14 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.753 0.311 . . . . 10.0 110.476 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 34.8 t -68.73 -42.76 83.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 108.951 -0.759 . . . . 10.0 108.951 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 2.3 mt -66.03 -22.5 66.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.364 -0.835 . . . . 10.0 110.93 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 478' ' ' GLN . . . . . 0.409 HE21 ' HB3' ' D' ' 478' ' ' GLN . 3.8 tt0 -65.65 -50.76 63.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.288 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 479' ' ' ASP . . . . . 0.561 ' HB3' HG23 ' D' ' 489' ' ' THR . 14.7 t70 -69.47 -32.81 71.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.222 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 480' ' ' LEU . . . . . 0.568 ' O ' ' HG3' ' D' ' 484' ' ' ARG . 0.3 OUTLIER -61.35 -22.33 64.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.824 179.255 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -91.81 4.47 52.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.143 -0.481 . . . . 10.0 111.021 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.14 -48.27 1.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.809 0.337 . . . . 10.0 110.853 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 67.7 p -93.5 -42.89 8.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.476 -0.329 . . . . 10.0 111.196 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 484' ' ' ARG . . . . . 0.568 ' HG3' ' O ' ' D' ' 480' ' ' LEU . 1.8 mpt_? 64.74 35.78 8.55 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.782 -0.645 . . . . 10.0 111.294 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 4.0 t -151.53 129.67 11.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.78 0.324 . . . . 10.0 110.988 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 35.1 m -68.37 -26.11 32.97 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-O 121.038 0.447 . . . . 10.0 110.465 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -74.23 -5.35 41.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.741 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 40.7 mt -117.0 -51.81 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.857 179.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 489' ' ' THR . . . . . 0.561 HG23 ' HB3' ' D' ' 479' ' ' ASP . 46.0 m -52.98 -48.33 67.54 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.675 0.62 . . . . 10.0 112.675 -179.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 1.4 m -60.98 -41.93 97.37 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.675 0.25 . . . . 10.0 111.675 -178.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -71.1 -36.74 72.31 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -56.32 -40.26 74.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.237 -0.892 . . . . 10.0 110.641 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 493' ' ' ILE . . . . . 0.445 HG13 ' O ' ' D' ' 489' ' ' THR . 75.4 mt -66.46 -40.97 87.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.775 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 12.3 mt -65.9 -38.09 87.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.486 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -73.02 -43.97 61.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.1 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 124.47 32.03 0.86 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.561 -0.828 . . . . 10.0 112.139 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -84.27 -28.8 26.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.438 0.637 . . . . 10.0 109.465 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 3.7 mp -108.27 136.36 44.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.189 -0.914 . . . . 10.0 109.325 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -61.41 125.76 24.91 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.328 0.393 . . . . 10.0 111.045 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 26.3 m -94.46 158.85 34.93 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.718 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.1 114.76 2.15 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.415 2.076 . . . . 10.0 111.817 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -129.67 136.32 28.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.011 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -65.41 103.44 0.54 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.488 2.126 . . . . 10.0 112.285 179.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.252 1.207 0 CA-C-O 118.136 -0.935 . . . . 10.0 109.819 -179.854 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 120.801 0.334 . . . . 10.0 110.214 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -104.05 142.56 34.24 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.553 -0.294 . . . . 10.0 110.956 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.4 pt -132.75 166.17 30.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.508 -0.552 . . . . 10.0 109.508 178.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.494 ' O ' ' HA ' ' A' ' 66' ' ' THR . 43.1 m-85 -120.87 131.41 54.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.562 0.22 . . . . 10.0 110.565 -179.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 63.2 t -115.83 124.33 72.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.97 -0.382 . . . . 10.0 109.97 179.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.1 tttp -104.27 129.59 52.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.99 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.71 167.36 11.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.093 -0.503 . . . . 10.0 109.99 179.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.9 mt -60.36 -27.6 67.52 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 111.847 0.314 . . . . 10.0 111.847 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.6 p -77.01 -14.28 59.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.95 0.405 . . . . 10.0 111.563 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.44 -9.84 42.04 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.925 -0.655 . . . . 10.0 111.712 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -62.69 139.9 58.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.676 0.274 . . . . 10.0 110.846 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -120.83 117.85 28.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.519 -0.309 . . . . 10.0 110.296 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mp -108.54 134.43 50.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.585 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.97 137.26 32.5 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.789 -0.449 . . . . 10.0 109.789 179.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.445 HD11 HG12 ' A' ' 30' ' ' ILE . 92.8 mt -133.74 142.8 48.11 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.994 0.426 . . . . 10.0 111.52 -179.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -98.33 112.41 24.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.628 -0.714 . . . . 10.0 109.263 178.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.6 m -138.05 -175.56 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.912 -0.585 . . . . 10.0 109.852 -179.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.502 ' O ' HD12 ' A' ' 56' ' ' LEU . 7.2 mm-40 -139.55 154.04 71.04 Favored Pre-proline 0 C--N 1.316 -0.864 0 N-CA-C 108.754 -0.832 . . . . 10.0 108.754 178.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.0 -29.96 56.98 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.01 1.807 . . . . 10.0 112.338 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 p -83.57 -0.34 49.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.849 -0.614 . . . . 10.0 112.158 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -76.5 142.46 40.9 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.018 0.437 . . . . 10.0 110.571 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.4 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -83.21 146.66 28.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.628 -0.715 . . . . 10.0 110.55 179.639 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.584 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 46.3 mm -56.81 -42.58 78.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.859 0.361 . . . . 10.0 110.298 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -62.1 -35.8 79.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.896 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -67.28 -32.8 74.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.05 0.452 . . . . 10.0 109.795 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 22' ' ' THR . 53.8 t -69.78 -34.94 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.403 178.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 10.3 mmmm -59.66 -39.35 84.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.609 179.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.9 -33.48 75.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.511 -0.768 . . . . 10.0 110.605 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -70.51 -40.89 73.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.815 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.445 HG12 HD11 ' A' ' 15' ' ' LEU . 71.4 mt -67.66 -39.4 82.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.932 -0.576 . . . . 10.0 109.604 178.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -62.41 -36.0 80.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.584 -0.735 . . . . 10.0 111.214 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.1 -33.41 75.95 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.479 -0.328 . . . . 10.0 111.66 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -92.67 -55.29 3.43 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.163 0.431 . . . . 10.0 112.163 -178.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -72.26 -32.25 66.5 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.441 0.534 . . . . 10.0 112.441 -178.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.63 9.84 84.13 Favored Glycine 0 C--O 1.229 -0.188 0 C-N-CA 120.482 -0.866 . . . . 10.0 111.362 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.4 mt -95.1 128.27 39.53 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.51 -0.345 . . . . 10.0 110.252 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.17 145.59 53.45 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.679 2.253 . . . . 10.0 112.357 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.41 -22.64 59.61 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.038 2.492 . . . . 10.0 112.585 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -70.19 -31.02 68.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.727 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -89.56 -8.86 51.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.899 -0.591 . . . . 10.0 111.329 -179.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.4 ' HB2' ' CE ' ' A' ' 27' ' ' LYS . 78.6 mt-30 -88.41 105.54 17.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.389 -179.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.409 ' HB3' ' HB ' ' A' ' 70' ' ' VAL . 11.3 ttt180 -105.22 98.25 7.98 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.198 -0.667 . . . . 10.0 109.198 178.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.423 ' HB3' HD12 ' A' ' 50' ' ' LEU . 29.7 mt -84.12 131.45 34.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.829 -179.094 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 83.4 mt -132.24 135.04 58.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.666 -0.697 . . . . 10.0 109.977 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.482 ' HB3' HD21 ' A' ' 50' ' ' LEU . 70.7 t80 -138.38 126.09 22.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.334 -0.394 . . . . 10.0 109.954 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.01 26.89 16.24 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.489 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.55 -2.88 87.83 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 116.012 -0.54 . . . . 10.0 112.65 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -103.61 138.7 39.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.77 0.319 . . . . 10.0 110.588 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -78.72 133.09 37.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.21 -0.45 . . . . 10.0 109.811 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.482 HD21 ' HB3' ' A' ' 45' ' ' PHE . 25.6 mt -88.85 119.13 29.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.993 0.425 . . . . 10.0 111.209 -179.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.69 136.81 36.25 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.331 179.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.3 -33.27 67.51 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.519 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.48 48.41 3.56 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.98 -0.628 . . . . 10.0 112.892 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.9 mmt-85 -144.42 170.61 15.69 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.7 p -113.81 167.6 10.5 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.91 -0.404 . . . . 10.0 109.91 178.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.502 HD12 ' O ' ' A' ' 18' ' ' GLU . 57.1 mt -64.58 -33.64 76.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.045 0.45 . . . . 10.0 110.412 179.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -27.7 69.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.645 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -65.82 -38.71 89.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.722 -178.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -96.77 9.5 41.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.536 -0.302 . . . . 10.0 111.102 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 61.0 36.21 18.69 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.794 0.684 . . . . 10.0 110.899 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 83.3 mt -78.69 107.1 10.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.175 0.512 . . . . 10.0 110.283 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -86.87 -175.01 5.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.464 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -76.5 153.5 35.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.739 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 60.34 32.54 20.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.762 -0.654 . . . . 10.0 112.189 179.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.6 m -95.42 144.13 26.19 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.966 -0.383 . . . . 10.0 109.966 178.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.494 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 53.4 m -98.33 121.44 40.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.972 0.415 . . . . 10.0 110.868 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.0 mp -104.85 149.14 25.92 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.188 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -98.35 134.93 40.67 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.144 -0.317 . . . . 10.0 110.144 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.3 tp -119.64 109.41 15.64 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.992 0.425 . . . . 10.0 110.688 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.409 ' HB ' ' HB3' ' A' ' 42' ' ' ARG . 15.5 t -100.1 143.05 14.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.028 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.5 mt -95.06 159.67 14.91 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 110.139 -0.319 . . . . 10.0 110.139 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -133.67 139.87 46.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.037 0.446 . . . . 10.0 111.039 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.3 mt -109.08 171.83 7.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.866 -0.606 . . . . 10.0 109.549 179.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 70.4 mtt-85 -128.03 -73.62 0.59 Allowed 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.916 -0.313 . . . . 10.0 111.594 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.93 96.37 1.89 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.793 -0.718 . . . . 10.0 112.955 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.594 -1.114 . . . . 10.0 111.688 179.756 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 110.136 -0.32 . . . . 10.0 110.136 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -114.75 137.41 51.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.632 0.253 . . . . 10.0 111.017 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 25.2 pt -127.29 161.75 33.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.425 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -113.28 125.91 54.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 43.0 t -110.81 122.33 65.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.44 ' HD3' ' SD ' ' D' ' 467' ' ' MET . 19.0 tttp -104.69 144.01 32.3 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.861 -179.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.2 p -119.1 169.08 10.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.694 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.404 HD21 ' CG2' ' D' ' 490' ' ' THR . 60.9 mt -65.4 -22.02 66.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.825 -179.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.6 p -80.25 -10.32 59.75 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.974 0.416 . . . . 10.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.79 -6.6 62.6 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.045 -0.597 . . . . 10.0 112.305 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -69.15 126.84 31.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.888 0.375 . . . . 10.0 110.835 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.86 110.66 22.49 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.749 179.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.4 mt -104.51 142.01 18.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.497 -0.32 . . . . 10.0 111.083 -178.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -106.75 129.25 54.66 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 178.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 94.4 mt -126.8 142.28 51.59 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.172 0.51 . . . . 10.0 111.98 -178.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -85.25 115.15 22.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.303 -0.862 . . . . 10.0 109.786 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 17.1 m -135.46 176.13 9.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.35 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.462 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 6.6 mm-40 -138.84 162.35 53.21 Favored Pre-proline 0 C--N 1.316 -0.856 0 N-CA-C 108.923 -0.769 . . . . 10.0 108.923 179.077 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.516 ' O ' ' HB ' ' B' ' 55' ' ' THR . 50.5 Cg_exo -54.43 -35.87 86.15 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.084 1.856 . . . . 10.0 112.552 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.88 -7.53 58.02 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.339 0.496 . . . . 10.0 112.339 -179.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.8 OUTLIER -66.29 122.67 18.02 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 110.07 -0.345 . . . . 10.0 110.07 -179.546 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.8 143.72 41.74 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.043 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 48.3 mm -52.88 -36.71 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 O-C-N 123.291 0.37 . . . . 10.0 111.365 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -62.68 -43.81 97.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.966 0.412 . . . . 10.0 110.672 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.472 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 63.2 t30 -63.46 -36.04 82.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.61 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 41.5 t -61.5 -41.85 91.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.066 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -66.8 -32.3 73.49 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.33 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.96 -35.21 80.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.257 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 26.7 mttt -66.52 -38.16 86.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.703 178.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 62.4 mt -69.14 -33.48 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.587 -0.733 . . . . 10.0 109.949 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -66.84 -31.93 72.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.878 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -82.34 -38.76 23.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.797 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -73.0 -53.63 10.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.88 -0.6 . . . . 10.0 112.425 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -93.65 -46.9 7.05 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.765 0.283 . . . . 10.0 111.765 -178.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.33 -3.13 25.16 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.529 -0.843 . . . . 10.0 111.906 -179.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 64.1 mt -72.36 127.34 90.31 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.636 -0.282 . . . . 10.0 110.272 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -57.91 141.97 96.25 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.537 2.158 . . . . 10.0 112.001 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -59.82 -26.33 81.93 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.389 2.06 . . . . 10.0 111.997 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -66.17 -19.74 65.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.544 -0.753 . . . . 10.0 111.395 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -108.36 11.6 26.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.881 0.372 . . . . 10.0 110.759 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -106.93 106.55 17.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.337 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.408 ' O ' ' HB ' ' B' ' 70' ' ' VAL . 53.4 mtp180 -108.54 100.14 9.44 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.956 -0.757 . . . . 10.0 108.956 178.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 15.9 mt -79.35 121.74 25.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.054 0.454 . . . . 10.0 111.461 -178.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -117.83 133.34 64.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.452 -0.794 . . . . 10.0 110.202 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.61 ' HB3' HD21 ' B' ' 50' ' ' LEU . 81.8 t80 -132.45 120.74 22.36 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.11 -0.7 . . . . 10.0 109.11 178.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.25 16.48 10.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.766 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.16 -3.59 55.12 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 120.814 -0.707 . . . . 10.0 113.604 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' B' ' 45' ' ' PHE . 9.9 ptmt -117.26 156.37 27.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 117.185 0.492 . . . . 10.0 110.849 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -86.63 146.38 26.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.709 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.61 HD21 ' HB3' ' B' ' 45' ' ' PHE . 19.7 mt -97.62 132.88 42.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.364 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.486 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 36.1 mt-10 -81.91 149.88 28.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.332 -0.395 . . . . 10.0 110.115 179.513 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.14 -35.37 80.3 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.037 0.384 . . . . 10.0 112.037 -178.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.71 28.89 3.42 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 120.916 -0.659 . . . . 10.0 113.512 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.486 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 16.4 mmt180 -128.16 164.72 21.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 117.165 0.483 . . . . 10.0 110.143 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.516 ' HB ' ' O ' ' B' ' 19' ' ' PRO . 11.9 p -111.36 169.59 8.69 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.048 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 21.7 mt -67.25 -33.85 76.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.921 0.391 . . . . 10.0 111.261 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -22.04 63.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.403 -0.362 . . . . 10.0 111.27 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -63.45 -45.47 90.71 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 121.009 0.433 . . . . 10.0 110.957 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -87.28 15.31 6.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.38 -179.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 t30 59.84 40.19 19.65 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.379 0.609 . . . . 10.0 110.921 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 61.9 mt -93.24 128.49 44.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.771 -0.65 . . . . 10.0 110.031 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -118.65 -164.69 1.05 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.3 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -73.03 156.92 38.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.685 -0.234 . . . . 10.0 110.756 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 68.5 9.94 7.58 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.75 0.657 . . . . 10.0 112.119 178.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 14.8 m -82.77 147.73 28.24 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.304 -0.258 . . . . 10.0 110.304 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.0 m -106.15 128.66 54.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.47 -0.332 . . . . 10.0 111.159 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.1 mp -108.16 135.62 49.19 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.822 -0.626 . . . . 10.0 109.468 179.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.476 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 33.5 m80 -89.96 113.66 25.35 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.872 -179.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 49.0 tp -91.18 90.92 8.0 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.693 -0.484 . . . . 10.0 109.693 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.833 HG13 ' HB ' ' D' ' 490' ' ' THR . 25.2 t -76.37 113.35 15.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.035 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 51.5 mt -81.96 138.59 34.92 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.888 -0.782 . . . . 10.0 108.888 178.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.83 162.09 36.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.033 0.444 . . . . 10.0 111.349 -179.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.12 174.13 7.43 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.482 -0.781 . . . . 10.0 109.022 179.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -122.02 25.23 9.2 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.411 0.624 . . . . 10.0 109.518 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -177.56 54.05 0.1 OUTLIER Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.331 -0.85 . . . . 10.0 111.413 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.169 0 CA-C-O 119.022 -0.877 . . . . 10.0 111.895 -179.522 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 4.4 p . . . . . 0 N--CA 1.477 0.91 0 CA-C-O 120.683 0.278 . . . . 10.0 110.542 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 62.59 23.64 14.06 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.277 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.32 -47.99 79.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.015 0.436 . . . . 10.0 110.888 -179.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -67.79 -36.68 80.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.679 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 70.9 mt -66.18 -40.79 90.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.463 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -61.55 -48.43 81.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.627 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.74 -44.18 94.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.692 -0.686 . . . . 10.0 111.263 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 56.8 mtm -64.59 -34.65 78.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.969 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.87 -38.79 92.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.948 0.404 . . . . 10.0 110.108 179.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -62.03 -37.69 85.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.94 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -58.74 -45.71 89.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.521 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 464' ' ' ILE . . . . . 0.548 HD11 HG12 ' D' ' 486' ' ' VAL . 40.7 mt -72.34 -32.08 41.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.72 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 50.8 tp60 -60.83 -36.01 77.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.007 0.432 . . . . 10.0 110.782 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -81.31 -7.69 59.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.718 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . 0.476 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 86.3 mmm -99.22 -32.47 11.2 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.311 0.577 . . . . 10.0 110.174 179.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 468' ' ' PHE . . . . . 0.437 ' O ' HG12 ' D' ' 471' ' ' VAL . 2.3 m-85 -129.11 84.93 61.26 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.948 -0.569 . . . . 10.0 109.982 179.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.06 37.29 0.58 Allowed 'Trans proline' 0 CA--C 1.531 0.332 0 C-N-CA 122.584 2.189 . . . . 10.0 113.194 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -140.37 12.53 2.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.929 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 471' ' ' VAL . . . . . 0.437 HG12 ' O ' ' D' ' 468' ' ' PHE . 9.4 p -125.04 133.81 25.15 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.51 -0.313 . . . . 10.0 110.43 -179.545 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 472' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.53 136.4 67.15 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.785 2.323 . . . . 10.0 112.406 179.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -55.59 -42.61 75.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.844 -0.616 . . . . 10.0 112.294 -178.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 34.8 p-80 -66.06 -27.99 68.5 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.133 -0.227 . . . . 10.0 111.584 -179.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 475' ' ' LEU . . . . . . . . . . . . . 14.2 mt -74.88 -34.99 62.3 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.803 -0.443 . . . . 10.0 109.803 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 48.2 t -67.86 -43.01 86.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.389 0.614 . . . . 10.0 109.665 178.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . 0.451 ' O ' ' HG3' ' D' ' 481' ' ' GLN . 9.4 mt -62.38 -26.58 68.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.337 -0.847 . . . . 10.0 111.03 179.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -67.46 -48.7 66.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.403 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -63.75 -38.07 89.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.464 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -59.63 -19.7 50.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.739 -0.664 . . . . 10.0 112.116 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 481' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' D' ' 477' ' ' LEU . 74.9 mt-30 -86.8 -18.94 29.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.52 0.2 . . . . 10.0 110.967 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -102.68 -45.94 4.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.515 -0.311 . . . . 10.0 111.375 -179.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 65.3 p -85.48 -49.91 7.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.72 0.295 . . . . 10.0 111.07 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 484' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' D' ' 484' ' ' ARG . 33.2 mtt180 68.56 19.03 8.8 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.271 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 2.7 m -141.14 116.37 10.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.555 -0.748 . . . . 10.0 109.58 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 486' ' ' VAL . . . . . 0.548 HG12 HD11 ' D' ' 464' ' ' ILE . 16.9 m -58.73 -28.87 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 112.273 0.471 . . . . 10.0 112.273 -178.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -66.1 -19.36 65.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.329 . . . . 10.0 111.742 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 23.0 mt -95.53 -38.56 8.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.668 0.271 . . . . 10.0 110.57 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 6.8 m -57.68 -41.31 81.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.914 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 490' ' ' THR . . . . . 0.833 ' HB ' HG13 ' B' ' 70' ' ' VAL . 0.2 OUTLIER -59.82 -50.0 75.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.877 0.37 . . . . 10.0 111.34 -179.861 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 491' ' ' ASP . . . . . 0.561 ' O ' ' HG2' ' D' ' 495' ' ' GLU . 2.6 t70 -66.2 -39.79 89.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.82 -0.627 . . . . 10.0 109.994 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -54.23 -41.41 68.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.5 -0.773 . . . . 10.0 111.437 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 98.3 mt -66.85 -44.36 89.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.294 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 1.9 mt -66.17 -37.6 86.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.394 -0.367 . . . . 10.0 111.671 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 495' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' D' ' 491' ' ' ASP . 40.3 mm-40 -70.74 -59.23 2.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.906 0.384 . . . . 10.0 110.753 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 145.28 26.1 0.1 Allowed Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.274 -0.965 . . . . 10.0 112.979 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -76.79 -39.23 52.21 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 39.4 mt -107.87 109.74 29.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.288 179.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -65.66 127.04 30.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.354 -179.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 26.8 m -72.45 160.7 82.11 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.521 -0.763 . . . . 10.0 110.489 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.98 100.53 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.698 2.266 . . . . 10.0 112.479 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -105.62 133.27 20.26 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.822 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -63.66 117.59 4.56 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.577 2.185 . . . . 10.0 112.162 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.332 -0.842 . . . . 10.0 110.116 -179.772 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.465 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 22.2 ptt? . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 109.996 -0.372 . . . . 10.0 109.996 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -101.82 138.31 38.96 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.913 0.387 . . . . 10.0 111.998 -178.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.1 pt -123.7 161.35 26.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.017 -0.734 . . . . 10.0 109.017 178.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.463 ' O ' ' HA ' ' A' ' 66' ' ' THR . 95.3 m-85 -117.93 113.03 21.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.983 0.42 . . . . 10.0 111.282 -178.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.2 t -103.74 122.62 56.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.756 -0.461 . . . . 10.0 109.756 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -101.6 131.69 47.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.066 0.46 . . . . 10.0 111.599 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.2 164.54 14.93 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.892 179.209 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.472 HD11 ' H ' ' A' ' 71' ' ' LEU . 65.4 mt -63.74 -26.61 68.73 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.902 0.334 . . . . 10.0 111.902 -179.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.55 -13.41 60.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.732 0.301 . . . . 10.0 111.602 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.09 -7.83 35.57 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.845 -0.693 . . . . 10.0 112.242 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -69.28 148.2 50.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.854 0.359 . . . . 10.0 111.042 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -119.35 129.87 55.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.154 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.4 mt -113.12 134.66 55.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.995 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.77 125.27 45.65 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.394 179.228 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.6 mt -123.72 139.79 53.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.992 0.425 . . . . 10.0 111.405 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -97.48 103.14 15.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.476 -0.784 . . . . 10.0 108.986 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.465 ' O ' ' HG2' ' A' ' 1' ' ' MET . 15.6 m -132.27 174.63 12.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.358 -178.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.48 ' O ' HD12 ' A' ' 56' ' ' LEU . 74.4 mm-40 -128.78 156.12 78.2 Favored Pre-proline 0 C--N 1.32 -0.696 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 179.123 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -49.86 -38.28 47.39 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 122.804 2.336 . . . . 10.0 113.684 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 m -83.4 12.42 5.52 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.443 0.534 . . . . 10.0 112.443 -179.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 5.1 t0 -81.4 142.24 33.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.9 0.381 . . . . 10.0 110.309 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.29 144.08 30.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.944 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 54' ' ' ARG . 47.6 mm -58.7 -41.57 82.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.795 0.331 . . . . 10.0 110.439 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -58.35 -36.84 74.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.428 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.472 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 64.9 t30 -68.01 -38.73 82.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.992 179.505 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.0 t -63.37 -41.19 91.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.941 179.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -60.15 -39.94 88.12 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.065 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.18 -37.83 88.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.573 -0.74 . . . . 10.0 110.582 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 86.0 mttt -64.94 -34.96 79.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.34 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 79.6 mt -70.1 -39.46 77.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 116.152 -0.476 . . . . 10.0 109.981 178.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -63.57 -41.06 98.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.647 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -64.1 -26.67 68.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.359 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -91.84 -61.52 1.61 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.708 0.632 . . . . 10.0 112.708 -179.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -86.34 -22.27 26.79 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.442 0.904 . . . . 10.0 113.442 -177.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.57 46.26 7.45 Favored Glycine 0 C--N 1.324 -0.123 0 C-N-CA 120.455 -0.878 . . . . 10.0 112.244 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.0 mt -118.96 123.96 28.61 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 110.208 -0.293 . . . . 10.0 110.208 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.402 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 73.8 Cg_exo -49.75 131.0 28.13 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.885 2.39 . . . . 10.0 112.175 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 50.6 Cg_exo -53.94 -37.73 85.92 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.099 2.533 . . . . 10.0 112.919 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.37 -15.03 63.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.999 0.428 . . . . 10.0 111.48 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -100.27 -4.03 30.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.19 -0.459 . . . . 10.0 111.076 -179.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -91.72 132.34 36.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.179 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -122.32 96.18 4.94 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 178.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 69.9 mt -87.62 117.38 26.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.699 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mp -119.07 132.3 69.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.381 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -129.42 119.61 24.11 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.721 -0.672 . . . . 10.0 109.436 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.95 36.08 12.87 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.307 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.2 0.02 85.08 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.998 -0.62 . . . . 10.0 113.686 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -118.15 135.89 53.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 117.325 0.563 . . . . 10.0 110.872 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -76.7 144.77 39.14 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.0 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 44.9 mt -91.32 136.51 33.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.299 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -82.92 134.53 35.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.137 -0.483 . . . . 10.0 109.863 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -59.34 -37.69 78.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.949 -178.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.1 22.29 6.16 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 121.226 -0.511 . . . . 10.0 113.382 -178.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.408 ' O ' HG12 ' A' ' 23' ' ' ILE . 55.5 mmt-85 -124.41 169.85 11.43 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.075 0.437 . . . . 10.0 110.647 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.1 p -110.25 172.88 6.6 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.779 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 18' ' ' GLU . 90.3 mt -67.43 -32.52 73.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.067 0.46 . . . . 10.0 110.279 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.51 -22.95 65.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.734 -0.666 . . . . 10.0 111.173 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -66.02 -27.18 67.92 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.428 -179.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -112.5 10.42 19.67 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.22 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.7 t30 56.54 37.69 29.02 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.371 -0.831 . . . . 10.0 111.363 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 72.7 mt -74.72 116.85 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.07 -0.514 . . . . 10.0 109.734 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -97.17 -169.82 1.92 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.704 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -79.86 151.44 30.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.684 0.278 . . . . 10.0 111.38 -179.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 67.5 23.37 9.01 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.305 -0.861 . . . . 10.0 111.88 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.3 m -86.77 142.81 27.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.059 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 2.9 m -96.06 126.19 41.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.404 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -114.62 143.98 44.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.69 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -97.34 126.8 42.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.721 0.296 . . . . 10.0 110.648 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.8 tp -107.95 101.41 10.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.367 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.4 t -96.18 141.2 15.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.109 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.472 ' H ' HD11 ' A' ' 8' ' ' LEU . 92.2 mt -87.39 132.2 34.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.03 0.443 . . . . 10.0 111.006 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -89.02 84.88 6.6 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.922 -0.581 . . . . 10.0 109.884 179.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.6 mt -84.4 92.0 7.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.058 0.456 . . . . 10.0 110.802 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -131.87 166.99 20.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.795 -0.638 . . . . 10.0 110.063 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.42 -135.34 13.09 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.921 -0.656 . . . . 10.0 112.587 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.176 0 CA-C-O 118.577 -1.124 . . . . 10.0 111.818 -179.748 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.443 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 26.2 ptt? . . . . . 0 N--CA 1.483 1.2 0 N-CA-C 110.246 -0.279 . . . . 10.0 110.246 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -110.72 141.9 43.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.841 0.353 . . . . 10.0 110.624 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 24.8 pt -129.51 151.98 36.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.136 -0.483 . . . . 10.0 109.938 178.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -107.49 112.31 25.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.442 -0.344 . . . . 10.0 110.727 -179.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.7 t -101.17 121.08 51.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -106.5 141.61 37.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.751 0.31 . . . . 10.0 111.289 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.1 p -111.81 167.67 10.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.666 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.451 ' CD1' ' HA ' ' D' ' 487' ' ' GLU . 46.8 mt -70.12 -14.91 62.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.094 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.67 -12.89 59.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.227 0.537 . . . . 10.0 110.564 179.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.86 5.13 58.67 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.778 -0.646 . . . . 10.0 112.32 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -88.04 139.38 30.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.81 0.338 . . . . 10.0 110.868 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.3 m -115.03 118.99 34.97 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 mp -105.7 128.84 59.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.856 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.52 109.86 21.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.18 179.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.6 mt -103.46 156.07 18.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.107 0.479 . . . . 10.0 111.598 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -109.2 109.45 20.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.389 -0.823 . . . . 10.0 109.794 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.443 ' O ' ' HG2' ' B' ' 1' ' ' MET . 16.7 m -138.97 174.08 10.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.624 -179.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.518 ' O ' HD12 ' B' ' 56' ' ' LEU . 70.3 mm-40 -124.27 158.36 61.33 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 109.674 -0.491 . . . . 10.0 109.674 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -57.75 -22.38 52.78 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.281 1.987 . . . . 10.0 112.947 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -93.73 8.41 41.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.915 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -78.61 157.5 28.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.889 0.376 . . . . 10.0 110.342 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.5 145.9 29.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.496 -179.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.6 mm -54.91 -43.51 68.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.266 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -58.12 -35.09 70.96 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 121.051 0.453 . . . . 10.0 111.073 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -72.23 -38.24 68.99 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.703 -0.48 . . . . 10.0 109.703 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.4 t -62.81 -40.14 87.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.601 178.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -59.87 -39.63 85.92 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.855 178.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.42 -37.22 82.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.62 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.98 -38.0 87.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.177 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 79.0 mt -70.18 -32.06 49.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-O 121.333 0.587 . . . . 10.0 109.734 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -62.14 -40.64 96.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.541 -0.754 . . . . 10.0 110.899 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -74.36 -19.43 60.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.126 0.489 . . . . 10.0 110.876 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -84.1 -60.62 2.04 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.709 0.633 . . . . 10.0 112.709 -178.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -96.23 -15.66 21.87 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.604 0.594 . . . . 10.0 112.604 -177.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.96 31.5 53.03 Favored Glycine 0 C--O 1.229 -0.168 0 C-N-CA 120.623 -0.799 . . . . 10.0 112.253 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.6 mt -109.48 125.88 30.4 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 110.365 -0.235 . . . . 10.0 110.365 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.457 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 50.5 Cg_exo -54.22 140.97 71.48 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.704 2.269 . . . . 10.0 112.278 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 32.3 Cg_exo -58.09 -23.27 60.15 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.847 2.365 . . . . 10.0 112.787 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -70.27 -13.82 62.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.051 0.453 . . . . 10.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -107.94 -0.98 21.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.585 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -96.48 104.61 16.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.93 -178.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.405 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 35.0 mtp180 -104.77 97.27 7.18 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.871 -0.789 . . . . 10.0 108.871 177.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 41.6 mt -81.41 121.68 26.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.408 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mp -119.47 125.15 74.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.266 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.53 ' O ' ' HE3' ' B' ' 48' ' ' LYS . 77.2 t80 -110.21 106.6 16.09 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.688 -0.486 . . . . 10.0 109.688 178.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.52 44.02 21.81 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.912 -0.585 . . . . 10.0 112.193 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.01 8.07 84.54 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.846 -0.693 . . . . 10.0 113.974 178.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.53 ' HE3' ' O ' ' B' ' 45' ' ' PHE . 25.1 mtmt -124.2 124.52 42.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 117.304 0.552 . . . . 10.0 110.576 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.26 139.23 46.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.943 0.401 . . . . 10.0 110.344 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.483 HD21 ' HB3' ' B' ' 45' ' ' PHE . 17.3 mt -98.39 145.32 26.84 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.631 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.471 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 27.1 mt-10 -94.34 154.24 17.59 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -64.39 -44.25 91.92 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.102 0.408 . . . . 10.0 112.102 -178.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.17 47.91 3.81 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.97 -0.633 . . . . 10.0 112.951 -179.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.471 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 28.5 mmt180 -135.61 152.69 51.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 10.0 110.458 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.574 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 0.2 OUTLIER -94.45 157.84 15.83 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.175 -0.676 . . . . 10.0 109.175 178.899 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.518 HD12 ' O ' ' B' ' 18' ' ' GLU . 79.1 mt -63.51 -32.95 74.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.336 0.589 . . . . 10.0 110.046 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.95 -13.7 61.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.655 -0.702 . . . . 10.0 111.223 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.574 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.5 m-20 -67.01 -28.03 67.91 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.946 0.403 . . . . 10.0 110.703 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.401 ' HB2' HG13 ' B' ' 61' ' ' ILE . 81.9 m-85 -111.26 12.67 21.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.994 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 62.7 t30 61.31 35.25 18.16 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.438 -0.801 . . . . 10.0 111.016 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.401 HG13 ' HB2' ' B' ' 59' ' ' TYR . 77.6 mt -78.02 104.53 6.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.006 179.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -91.02 -162.04 0.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.454 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.06 153.43 28.79 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.018 -0.364 . . . . 10.0 110.018 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 65.53 33.6 8.54 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.616 0.572 . . . . 10.0 110.891 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 71.2 m -90.17 152.14 21.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.263 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.59 124.79 51.03 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.517 -179.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -117.05 131.5 56.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.642 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.482 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 53.7 m80 -92.42 118.32 30.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.002 -0.545 . . . . 10.0 109.605 179.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 54.9 tp -98.97 104.25 16.27 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.118 0.485 . . . . 10.0 110.657 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.405 ' HB ' ' HB2' ' B' ' 42' ' ' ARG . 94.0 t -90.3 108.61 19.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.949 -0.568 . . . . 10.0 109.954 179.063 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 86.2 mt -83.93 112.0 19.76 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.465 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.99 168.34 10.84 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.123 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 7.7 mp -115.76 154.42 29.63 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.868 0.366 . . . . 10.0 111.107 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.77 -18.11 31.9 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.781 -0.822 . . . . 10.0 108.781 178.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 177.93 169.14 38.49 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 109.983 -1.247 . . . . 10.0 109.983 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.604 -1.109 . . . . 10.0 112.478 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.476 0.863 0 CA-C-O 120.576 0.227 . . . . 10.0 110.602 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 64.77 17.73 11.11 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.564 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.4 -50.22 74.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.848 0.356 . . . . 10.0 111.536 -179.089 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -76.69 -37.9 55.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.86 0.362 . . . . 10.0 110.987 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.56 -45.64 92.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.187 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -61.47 -41.8 97.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 10.0 110.913 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -62.63 -44.14 97.04 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.913 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 62.6 mtm -69.58 -37.77 77.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.754 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.24 -41.84 96.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.704 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -64.11 -33.01 74.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.33 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -62.71 -40.06 95.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.011 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 92.7 mt -72.38 -32.82 43.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.099 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -61.16 -32.76 72.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.753 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -74.4 -17.99 60.73 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 116.244 -0.434 . . . . 10.0 111.028 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . 0.482 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 67.3 mmm -95.67 -42.06 8.58 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.986 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 468' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -132.5 97.97 17.11 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.827 -0.624 . . . . 10.0 111.101 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -86.35 17.69 1.71 Allowed 'Trans proline' 0 CA--C 1.532 0.393 0 C-N-CA 122.496 2.131 . . . . 10.0 112.465 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -103.11 -1.17 29.55 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.864 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 471' ' ' VAL . . . . . . . . . . . . . 7.7 p -114.33 128.23 26.03 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.328 -0.396 . . . . 10.0 110.575 -179.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 472' ' ' PRO . . . . . 0.436 ' O ' HG23 ' D' ' 476' ' ' VAL . 32.1 Cg_exo -58.43 138.56 86.49 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.824 2.35 . . . . 10.0 112.508 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -54.44 -41.33 69.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.671 -0.695 . . . . 10.0 112.482 -178.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 37.8 p-80 -66.15 -30.25 70.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.633 0.254 . . . . 10.0 111.427 -178.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 475' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' D' ' 475' ' ' LEU . 22.7 mt -76.75 -35.91 57.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.657 0.265 . . . . 10.0 110.594 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 476' ' ' VAL . . . . . 0.436 HG23 ' O ' ' D' ' 472' ' ' PRO . 40.8 t -62.56 -40.9 89.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.314 0.578 . . . . 10.0 109.551 178.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . 0.448 ' O ' ' HG3' ' D' ' 481' ' ' GLN . 51.2 mt -65.85 -30.52 71.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.379 -0.828 . . . . 10.0 110.969 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -63.38 -54.11 41.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.376 -0.375 . . . . 10.0 110.916 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 479' ' ' ASP . . . . . 0.515 ' HB3' HG23 ' D' ' 489' ' ' THR . 12.9 t70 -65.2 -34.65 78.88 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.817 0.342 . . . . 10.0 110.297 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.94 -28.34 66.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.122 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 481' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' D' ' 477' ' ' LEU . 58.3 mt-30 -82.81 -25.86 32.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.104 0.478 . . . . 10.0 110.338 179.201 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -83.58 -56.63 3.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.674 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 483' ' ' THR . . . . . 0.415 ' O ' ' HB2' ' D' ' 484' ' ' ARG . 61.9 p -87.61 -43.78 11.72 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.272 0.471 . . . . 10.0 112.272 -178.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 484' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' D' ' 483' ' ' THR . 8.9 mtm180 69.18 42.16 1.27 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.195 0.521 . . . . 10.0 110.789 -179.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 12.3 t -159.13 117.91 2.93 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.754 -0.657 . . . . 10.0 109.633 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 8.1 m -57.01 -37.59 55.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.66 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 487' ' ' GLU . . . . . 0.451 ' HA ' ' CD1' ' B' ' 8' ' ' LEU . 4.4 mp0 -61.42 -43.65 98.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.794 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 39.7 mt -74.14 -44.41 49.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.843 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 489' ' ' THR . . . . . 0.515 HG23 ' HB3' ' D' ' 479' ' ' ASP . 95.7 m -57.13 -49.91 74.45 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.361 0.504 . . . . 10.0 112.361 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 4.8 m -60.34 -43.76 96.14 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.192 -0.203 . . . . 10.0 111.42 -179.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -68.68 -37.8 79.88 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.01 0.433 . . . . 10.0 109.912 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.6 -40.72 75.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.508 -0.769 . . . . 10.0 110.151 178.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 76.9 mt -66.52 -42.28 89.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.848 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.63 -34.23 77.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.97 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -81.26 -3.82 53.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 10.0 111.401 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 79.37 29.27 50.22 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.926 -0.654 . . . . 10.0 113.787 179.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -76.31 -27.34 56.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.383 0.611 . . . . 10.0 109.548 178.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 4.5 mp -108.62 130.81 60.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.4 -0.818 . . . . 10.0 109.275 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -62.67 112.99 2.74 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.988 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 16.0 m -72.87 156.73 89.59 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.132 -0.486 . . . . 10.0 110.193 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -50.11 115.06 1.66 Allowed 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.885 2.39 . . . . 10.0 112.954 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -120.82 131.61 24.42 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.68 -0.691 . . . . 10.0 109.957 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -61.02 135.22 57.64 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.778 2.319 . . . . 10.0 112.362 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.245 -0.883 . . . . 10.0 110.334 -179.301 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.449 ' HB2' ' HB3' ' A' ' 63' ' ' LYS . 26.9 ptt? . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 109.99 -0.374 . . . . 10.0 109.99 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -91.33 134.9 34.21 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.169 0.509 . . . . 10.0 111.124 -179.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.3 pt -124.24 164.52 22.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.735 -0.666 . . . . 10.0 109.723 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.463 ' O ' ' HA ' ' A' ' 66' ' ' THR . 70.7 m-85 -114.6 131.45 56.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.941 0.401 . . . . 10.0 110.901 -179.367 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.9 t -114.62 127.54 72.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.915 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -98.58 132.77 43.73 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.294 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.2 p -108.32 165.6 11.38 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 110.081 -0.34 . . . . 10.0 110.081 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.4 mt -69.4 -10.36 57.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.819 0.342 . . . . 10.0 111.023 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.66 -3.45 52.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.172 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.87 15.92 69.04 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.801 -0.714 . . . . 10.0 112.54 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -95.66 121.25 37.16 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.102 -0.333 . . . . 10.0 110.102 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 m -93.77 116.65 29.14 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.103 0.478 . . . . 10.0 110.33 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.9 mt -104.08 138.02 30.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.983 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.46 132.54 50.6 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.019 -0.734 . . . . 10.0 109.019 178.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.4 mt -136.76 147.67 46.81 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.378 0.51 . . . . 10.0 112.378 -178.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -93.47 115.8 28.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.391 -0.822 . . . . 10.0 109.597 179.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.402 ' O ' ' HG2' ' A' ' 1' ' ' MET . 23.3 m -135.47 172.39 15.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.135 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.435 ' O ' HD12 ' A' ' 56' ' ' LEU . 65.7 mm-40 -129.38 160.78 62.48 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 109.968 -0.382 . . . . 10.0 109.968 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -58.17 -32.03 94.75 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.432 2.088 . . . . 10.0 112.232 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.11 20.29 8.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.403 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -87.46 138.31 31.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.789 0.328 . . . . 10.0 110.274 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.42 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.1 m -86.6 142.91 27.93 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.546 -179.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.2 mm -56.19 -39.2 57.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.1 0.476 . . . . 10.0 110.44 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -62.46 -30.35 71.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.644 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -77.36 -42.07 37.91 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.616 -0.513 . . . . 10.0 109.616 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 22' ' ' THR . 40.7 t -62.32 -36.44 74.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.695 178.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -60.07 -40.17 88.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.241 -0.89 . . . . 10.0 110.266 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.99 -31.0 70.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.403 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -66.57 -38.89 88.04 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.116 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.6 mt -71.0 -36.57 64.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -63.26 -35.61 80.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.414 -0.812 . . . . 10.0 110.512 179.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -83.05 -12.24 57.34 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.979 -178.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -100.19 -43.12 6.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.825 0.345 . . . . 10.0 111.494 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -99.01 -39.84 8.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.72 -179.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.86 11.14 38.32 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.552 -0.833 . . . . 10.0 111.652 -178.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.0 mt -85.39 125.33 70.03 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 115.678 -0.261 . . . . 10.0 110.778 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 37.5 Cg_exo -56.87 143.12 92.4 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 122.78 2.32 . . . . 10.0 112.328 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 48.6 Cg_exo -55.64 -29.79 72.12 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 123.151 2.567 . . . . 10.0 113.253 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -66.53 -33.51 75.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.51 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -91.82 -0.12 57.51 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.457 -0.338 . . . . 10.0 111.209 -178.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -94.59 101.44 13.32 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.365 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -110.17 100.24 9.18 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.96 -0.755 . . . . 10.0 108.96 178.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.31 134.6 34.11 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.198 0.523 . . . . 10.0 111.716 -178.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -128.2 136.72 59.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.542 -0.754 . . . . 10.0 109.421 179.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.499 ' HB3' HD21 ' A' ' 50' ' ' LEU . 74.2 t80 -132.16 118.63 19.83 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.934 -0.395 . . . . 10.0 109.934 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.8 21.83 11.9 Favored 'General case' 0 N--CA 1.464 0.236 0 O-C-N 123.556 0.535 . . . . 10.0 112.001 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.42 -28.02 16.78 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.698 -0.763 . . . . 10.0 112.902 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -89.16 142.03 28.0 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.283 -0.266 . . . . 10.0 110.283 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -81.41 136.86 35.72 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.783 0.325 . . . . 10.0 110.741 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.499 HD21 ' HB3' ' A' ' 45' ' ' PHE . 51.5 mt -85.63 115.21 23.18 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.02 -0.536 . . . . 10.0 109.795 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.538 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 31.0 mt-10 -75.36 148.14 39.5 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -55.69 -52.13 64.93 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.548 0.573 . . . . 10.0 112.548 -178.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.6 48.21 3.93 Favored Glycine 0 CA--C 1.521 0.413 0 C-N-CA 120.847 -0.692 . . . . 10.0 114.006 -178.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.538 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 23.1 mmt180 -133.08 160.61 36.69 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.969 -0.382 . . . . 10.0 109.969 179.19 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.19 154.26 19.97 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 179.397 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.435 HD12 ' O ' ' A' ' 18' ' ' GLU . 84.8 mt -60.15 -30.28 69.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.086 0.469 . . . . 10.0 110.781 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.89 -21.5 62.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.739 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -68.62 -38.12 80.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.967 0.413 . . . . 10.0 111.332 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -94.56 7.07 46.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.266 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.2 t30 61.93 39.43 13.53 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 115.384 -0.825 . . . . 10.0 111.163 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 69.4 mt -85.47 122.88 38.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.025 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -112.48 -167.23 1.16 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.266 -179.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.449 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 55.2 pttt -73.69 154.84 39.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.279 -0.419 . . . . 10.0 109.892 179.105 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 74.56 -16.63 0.53 Allowed 'General case' 0 N--CA 1.473 0.698 0 O-C-N 123.816 0.697 . . . . 10.0 111.975 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.7 m -57.86 141.4 49.29 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.968 0.413 . . . . 10.0 111.038 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 1.7 m -103.15 119.15 38.34 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.202 -179.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.1 mp -99.94 155.23 17.8 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.639 -0.71 . . . . 10.0 109.588 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -113.53 133.11 55.43 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.778 0.323 . . . . 10.0 110.719 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.7 tp -112.88 111.38 22.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 89.0 t -101.5 132.58 47.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.968 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.7 mt -89.03 135.97 33.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.36 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -99.46 108.58 21.08 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.722 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 88.5 mt -107.71 122.04 45.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.666 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 74' ' ' ARG . 2.1 mmp_? -135.88 145.31 46.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.189 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 102.68 -10.68 56.12 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.942 -0.646 . . . . 10.0 112.2 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.942 -0.921 . . . . 10.0 111.111 179.79 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.406 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 24.6 ptt? . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.627 0.251 . . . . 10.0 110.601 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -104.17 141.14 36.78 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.775 0.322 . . . . 10.0 110.969 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 20.9 pt -129.01 168.45 22.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.213 -0.449 . . . . 10.0 109.873 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.47 ' O ' ' HA ' ' B' ' 66' ' ' THR . 57.2 m-85 -121.78 117.23 26.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.972 0.415 . . . . 10.0 111.178 -179.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -96.35 123.94 48.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.079 -0.509 . . . . 10.0 109.813 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -102.18 129.59 48.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.889 -179.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 34.2 p -108.54 157.44 18.46 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.835 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 47.7 mt -68.79 -14.87 63.3 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.075 0.464 . . . . 10.0 111.12 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.7 -9.94 59.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.161 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.83 28.81 20.19 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.755 -0.735 . . . . 10.0 112.239 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -116.18 130.7 56.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.572 0.225 . . . . 10.0 110.534 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.73 130.11 51.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.548 -0.297 . . . . 10.0 110.765 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 19.4 mt -115.13 132.53 64.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.673 -0.24 . . . . 10.0 110.863 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.7 m -104.14 105.6 15.82 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.161 -0.311 . . . . 10.0 110.161 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 93.6 mt -109.83 145.81 36.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.13 -179.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -91.82 122.17 34.11 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 15.0 m -138.47 173.28 12.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.391 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.517 ' O ' HD12 ' B' ' 56' ' ' LEU . 6.8 mm-40 -131.41 155.85 80.92 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 109.178 -0.675 . . . . 10.0 109.178 179.291 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.72 -27.28 60.63 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 122.449 2.099 . . . . 10.0 112.914 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.9 -2.37 58.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.704 -179.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -72.32 143.56 48.63 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.706 0.289 . . . . 10.0 110.359 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.455 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.3 OUTLIER -89.4 147.29 24.12 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.537 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.448 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 42.4 mm -57.2 -40.2 72.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.294 0.568 . . . . 10.0 109.887 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -60.54 -36.29 78.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.249 -0.887 . . . . 10.0 110.763 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -71.51 -36.65 71.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.087 0.47 . . . . 10.0 109.767 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.455 HG23 ' O ' ' B' ' 22' ' ' THR . 47.5 t -62.26 -38.51 81.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.896 -0.593 . . . . 10.0 109.525 178.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' B' ' 23' ' ' ILE . 4.7 mmmm -59.9 -35.89 75.83 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.055 179.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.09 -36.19 81.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.295 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -68.2 -35.99 78.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.268 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.54 HG21 HD11 ' B' ' 69' ' ' LEU . 69.7 mt -69.67 -37.98 75.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 178.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.415 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 58.7 tt0 -69.2 -22.88 63.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.806 178.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -74.36 -28.53 61.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.067 178.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -93.07 -63.65 1.19 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.624 -0.716 . . . . 10.0 111.403 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -77.09 -47.47 20.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.266 -0.424 . . . . 10.0 111.341 -178.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 106.89 -12.56 41.55 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.731 -0.747 . . . . 10.0 112.278 -179.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 31.9 mt -62.55 129.6 92.82 Favored Pre-proline 0 C--N 1.327 -0.378 0 C-N-CA 122.307 0.243 . . . . 10.0 111.108 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.457 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 33.0 Cg_exo -57.09 138.7 87.44 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 122.399 2.066 . . . . 10.0 111.792 179.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 32.0 Cg_exo -58.73 -25.73 77.0 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.013 2.475 . . . . 10.0 112.638 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.32 -41.9 80.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.811 -0.632 . . . . 10.0 111.379 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -94.65 15.51 17.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.615 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -104.26 100.59 10.32 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.669 0.271 . . . . 10.0 111.264 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.463 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 47.4 mtp180 -97.41 112.42 24.26 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.521 -0.918 . . . . 10.0 108.521 178.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 46.3 mt -96.9 131.17 43.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.969 0.414 . . . . 10.0 111.903 -178.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mp -123.98 136.82 59.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.647 -0.706 . . . . 10.0 110.02 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.567 ' HB3' HD21 ' B' ' 50' ' ' LEU . 67.1 t80 -131.79 115.19 15.64 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 179.029 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.96 23.83 12.94 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.378 0.423 . . . . 10.0 111.494 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.18 -13.55 63.15 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.792 -0.718 . . . . 10.0 112.559 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -100.37 129.35 46.33 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.556 0.217 . . . . 10.0 110.452 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.19 139.09 46.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.174 0.512 . . . . 10.0 111.235 -179.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.567 HD21 ' HB3' ' B' ' 45' ' ' PHE . 24.9 mt -94.73 134.72 37.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.891 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -96.2 148.35 22.81 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.769 -0.456 . . . . 10.0 109.769 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -59.91 -44.38 94.32 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.243 0.46 . . . . 10.0 112.243 -178.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.01 48.89 3.63 Favored Glycine 0 CA--C 1.517 0.181 0 C-N-CA 121.212 -0.518 . . . . 10.0 113.5 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.472 ' HG3' ' OH ' ' B' ' 59' ' ' TYR . 16.2 mmt180 -143.66 162.74 35.16 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 179.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.464 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 46.9 p -106.65 163.73 12.66 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.244 -0.65 . . . . 10.0 109.244 178.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.517 HD12 ' O ' ' B' ' 18' ' ' GLU . 83.5 mt -61.63 -33.41 73.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.815 0.34 . . . . 10.0 110.799 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.5 m -69.57 -20.8 63.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 10.0 111.52 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' B' ' 55' ' ' THR . 3.9 m-20 -63.57 -37.76 88.53 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.98 0.419 . . . . 10.0 111.028 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.472 ' OH ' ' HG3' ' B' ' 54' ' ' ARG . 87.2 m-85 -101.87 14.36 32.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.202 -179.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 63.23 23.78 14.01 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.037 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.6 mt -71.11 129.9 34.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.63 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -129.11 -159.2 0.94 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.311 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.406 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 5.0 pttt -70.76 153.55 42.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.573 -0.285 . . . . 10.0 110.958 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 64.35 14.9 9.11 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.622 -0.717 . . . . 10.0 112.401 178.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 50.6 m -76.53 140.83 41.3 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.975 -0.38 . . . . 10.0 109.975 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.47 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 32.1 m -98.52 118.95 36.37 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.095 0.474 . . . . 10.0 111.215 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 mp -101.07 120.44 40.21 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.576 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.545 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 43.4 m80 -86.45 119.54 26.82 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.462 -0.335 . . . . 10.0 110.387 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.54 HD11 HG21 ' B' ' 30' ' ' ILE . 0.5 OUTLIER -95.99 114.13 25.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.87 -179.72 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.463 ' HB ' ' HB2' ' B' ' 42' ' ' ARG . 86.5 t -108.7 131.04 60.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.033 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 96.1 mt -103.73 150.93 23.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.497 -0.32 . . . . 10.0 110.138 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -123.6 149.39 45.39 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.719 -179.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 5.7 mp -129.45 133.25 47.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.505 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 66.52 94.38 0.06 Allowed 'General case' 0 N--CA 1.464 0.261 0 O-C-N 123.755 0.659 . . . . 10.0 111.487 179.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -102.69 -43.66 1.93 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.679 -0.772 . . . . 10.0 111.953 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.283 0 CA-C-O 118.652 -1.082 . . . . 10.0 112.221 -179.926 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 120.405 0.145 . . . . 10.0 110.719 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 66.16 17.49 10.76 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.521 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.68 -42.45 99.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.849 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 -67.93 -34.86 77.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.471 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 74.4 mt -66.56 -45.09 80.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.263 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -64.37 -40.16 95.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.977 0.418 . . . . 10.0 110.476 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.39 -44.1 95.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.063 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 47.8 mtm -69.98 -41.12 74.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.14 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.16 -34.82 78.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.75 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.58 -34.46 72.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.913 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 463' ' ' GLN . . . . . 0.475 ' O ' ' HG2' ' D' ' 467' ' ' MET . 23.5 tp60 -70.3 -39.19 75.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.996 0.427 . . . . 10.0 109.901 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 51.4 mt -66.1 -31.19 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.428 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -64.99 -23.19 67.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.349 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -87.38 -14.29 41.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.285 179.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . 0.545 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 49.1 mmm -91.85 -37.89 12.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.38 0.61 . . . . 10.0 109.676 179.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 468' ' ' PHE . . . . . 0.491 ' O ' HG12 ' D' ' 471' ' ' VAL . 5.7 m-85 -130.06 95.92 26.94 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.601 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -80.2 26.16 0.58 Allowed 'Trans proline' 0 CA--C 1.53 0.294 0 C-N-CA 122.516 2.144 . . . . 10.0 112.614 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -137.4 21.04 2.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.717 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 471' ' ' VAL . . . . . 0.491 HG12 ' O ' ' D' ' 468' ' ' PHE . 14.1 p -120.03 131.27 24.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.05 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 472' ' ' PRO . . . . . 0.439 ' HG2' HD12 ' D' ' 475' ' ' LEU . 32.4 Cg_exo -59.98 121.78 10.36 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.572 2.182 . . . . 10.0 112.405 179.165 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -53.05 -40.13 63.73 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.809 -0.632 . . . . 10.0 112.167 -179.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -68.22 -23.34 64.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.604 0.24 . . . . 10.0 111.638 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 475' ' ' LEU . . . . . 0.51 ' O ' ' HB3' ' D' ' 478' ' ' GLN . 22.6 mt -84.94 -26.77 26.99 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.634 -0.506 . . . . 10.0 109.634 179.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 476' ' ' VAL . . . . . 0.411 HG23 ' O ' ' D' ' 472' ' ' PRO . 53.5 t -68.86 -42.62 82.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 108.912 -0.773 . . . . 10.0 108.912 178.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . 0.457 ' O ' ' HG3' ' D' ' 481' ' ' GLN . 63.1 mt -62.12 -27.9 69.25 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.451 -0.795 . . . . 10.0 110.346 178.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 478' ' ' GLN . . . . . 0.51 ' HB3' ' O ' ' D' ' 475' ' ' LEU . 0.0 OUTLIER -62.37 -52.84 61.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.702 -0.681 . . . . 10.0 111.039 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 479' ' ' ASP . . . . . 0.509 ' HB3' HG23 ' D' ' 489' ' ' THR . 12.6 t70 -65.83 -33.99 77.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.61 -179.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.33 -27.69 67.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.66 179.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 481' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' D' ' 477' ' ' LEU . 58.3 mt-30 -89.79 -3.23 58.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.46 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -107.49 -58.4 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.431 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 82.6 p -87.19 -35.37 18.61 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.488 -0.324 . . . . 10.0 111.443 -179.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? 65.71 21.19 11.59 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.68 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.44 112.77 7.16 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.827 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 16.7 m -52.75 -31.0 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 115.941 -0.572 . . . . 10.0 112.237 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -60.98 -54.26 47.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.037 0.446 . . . . 10.0 110.217 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 22.5 mt -67.55 -34.08 66.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.292 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 489' ' ' THR . . . . . 0.509 HG23 ' HB3' ' D' ' 479' ' ' ASP . 87.2 m -60.16 -49.84 76.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.745 -0.661 . . . . 10.0 111.197 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 490' ' ' THR . . . . . 0.44 ' HB ' HG13 ' B' ' 70' ' ' VAL . 1.9 m -68.42 -34.73 76.53 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.764 -179.246 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 491' ' ' ASP . . . . . 0.467 ' O ' ' HG2' ' D' ' 495' ' ' GLU . 18.1 t70 -65.76 -44.16 86.69 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.933 -0.766 . . . . 10.0 108.933 178.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 492' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -56.23 -36.46 68.5 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.215 -0.902 . . . . 10.0 110.47 178.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 493' ' ' ILE . . . . . 0.465 HG13 ' O ' ' D' ' 489' ' ' THR . 89.9 mt -64.02 -44.45 97.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.036 179.215 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.82 -28.81 67.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.001 0.429 . . . . 10.0 110.566 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 495' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' D' ' 491' ' ' ASP . 33.4 mm-40 -76.68 -20.98 56.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.776 -0.647 . . . . 10.0 111.329 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 95.19 24.56 16.39 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.453 -0.88 . . . . 10.0 112.298 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -71.62 -37.36 70.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.559 0.695 . . . . 10.0 109.32 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 4.1 mp -100.68 122.8 53.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.079 -0.964 . . . . 10.0 109.265 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -68.93 125.08 25.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.965 0.412 . . . . 10.0 111.01 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 16.1 m -76.96 156.95 82.11 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.532 -0.758 . . . . 10.0 110.393 179.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -61.14 109.2 0.67 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.681 2.254 . . . . 10.0 112.146 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -108.81 131.35 21.84 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.68 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -67.32 108.98 1.67 Allowed 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.486 2.124 . . . . 10.0 112.297 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 11.4 t . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.057 -0.973 . . . . 10.0 109.466 179.533 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.483 1.194 0 N-CA-C 110.334 -0.247 . . . . 10.0 110.334 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -111.7 143.43 42.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.363 -0.38 . . . . 10.0 111.317 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.2 pt -129.96 162.59 37.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 178.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -122.64 116.25 23.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.928 0.394 . . . . 10.0 111.393 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 63.0 t -100.89 121.05 51.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.8 -0.636 . . . . 10.0 110.036 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.7 mttp -98.99 131.96 44.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.868 0.366 . . . . 10.0 110.909 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.8 p -94.78 171.69 8.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.189 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.429 HD11 ' H ' ' A' ' 71' ' ' LEU . 52.6 mt -65.82 -28.1 68.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.89 0.376 . . . . 10.0 110.811 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.553 HG23 HE21 ' D' ' 465' ' ' GLN . 1.9 m -74.94 -27.88 60.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.94 -0.573 . . . . 10.0 111.131 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.71 -16.27 10.38 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.805 -0.712 . . . . 10.0 111.731 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -61.49 127.76 33.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.669 -0.265 . . . . 10.0 110.784 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -106.35 121.73 44.82 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.367 -0.379 . . . . 10.0 110.178 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mt -100.65 133.06 45.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.551 -178.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.22 129.39 38.18 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.894 -0.594 . . . . 10.0 109.569 178.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.3 mt -131.46 133.42 45.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.862 0.363 . . . . 10.0 111.533 -179.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -94.36 108.79 20.68 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.196 -0.668 . . . . 10.0 109.196 178.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.5 m -138.09 172.65 13.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.266 -0.424 . . . . 10.0 110.895 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -124.22 155.57 67.89 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 109.424 -0.584 . . . . 10.0 109.424 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.427 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 55.7 Cg_exo -53.49 -24.83 29.89 Favored 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 122.97 2.447 . . . . 10.0 113.889 -179.119 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.52 0.08 57.47 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.472 0.545 . . . . 10.0 112.472 -178.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -74.0 143.74 45.44 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.681 -0.408 . . . . 10.0 110.162 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.6 m -84.02 141.01 31.49 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.777 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.4 mm -54.43 -40.83 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.28 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -61.89 -30.08 70.64 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.914 0.388 . . . . 10.0 110.723 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -75.52 -29.51 59.5 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.429 -0.582 . . . . 10.0 109.429 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.0 t -67.7 -39.22 81.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.135 -0.691 . . . . 10.0 109.135 178.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -61.94 -36.24 80.81 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.561 -0.745 . . . . 10.0 109.769 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.22 -37.9 89.05 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.591 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.2 mtmm -66.34 -42.61 87.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.174 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 60.0 mt -66.4 -36.16 76.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.508 0.67 . . . . 10.0 109.63 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -67.81 -29.54 68.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.553 -0.749 . . . . 10.0 110.419 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -81.17 -33.51 33.0 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.494 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -87.61 -47.0 9.04 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.218 0.451 . . . . 10.0 112.218 -179.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -92.45 -32.95 14.71 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.025 0.38 . . . . 10.0 112.025 -178.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.42 10.66 61.82 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.497 -0.859 . . . . 10.0 112.466 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.4 mt -83.8 126.13 71.47 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 110.471 -0.196 . . . . 10.0 110.471 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 45.7 Cg_exo -55.95 138.63 82.81 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.856 2.371 . . . . 10.0 112.15 179.518 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.2 Cg_exo -54.8 -32.38 76.55 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.997 2.465 . . . . 10.0 112.969 -179.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.57 -21.63 66.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.951 -179.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -102.35 0.9 34.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.673 0.273 . . . . 10.0 111.18 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -93.73 131.72 38.8 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.067 -179.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 65.4 mtt180 -135.61 102.86 5.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.226 178.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.8 mt -93.57 123.37 36.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.675 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mp -123.17 137.4 56.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.064 -0.517 . . . . 10.0 110.064 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.47 ' HB3' HD21 ' A' ' 50' ' ' LEU . 71.2 t80 -135.02 114.82 12.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.348 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.97 33.02 10.11 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.782 -0.644 . . . . 10.0 111.368 179.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.33 -7.94 73.53 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.981 -0.628 . . . . 10.0 112.896 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -99.73 128.31 45.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.887 0.375 . . . . 10.0 111.01 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.38 116.75 19.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.872 -0.604 . . . . 10.0 109.376 179.326 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.47 HD21 ' HB3' ' A' ' 45' ' ' PHE . 37.3 mt -64.23 127.9 33.45 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.008 -178.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.478 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 12.9 mt-10 -83.6 138.51 33.33 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.271 -0.64 . . . . 10.0 109.271 178.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -60.71 -21.0 62.44 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.275 0.472 . . . . 10.0 112.275 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.03 34.94 5.0 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.682 -0.771 . . . . 10.0 113.479 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.478 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 17.4 mmt180 -132.59 174.33 10.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.914 0.357 . . . . 10.0 110.436 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.0 p -112.98 -179.3 3.61 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.079 -0.711 . . . . 10.0 109.079 178.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.427 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 87.8 mt -73.5 -33.24 64.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.982 0.42 . . . . 10.0 110.808 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.4 m -75.07 -10.27 59.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.289 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.18 -31.72 70.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.051 0.453 . . . . 10.0 110.477 179.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -111.88 9.95 20.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.501 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 61.32 50.87 4.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.38 -0.827 . . . . 10.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 73.1 mt -89.95 112.16 24.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.22 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -88.4 -173.47 4.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.706 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 57.3 pttt -76.1 150.99 37.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.478 -0.328 . . . . 10.0 110.936 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 63.52 24.29 13.99 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.617 -0.719 . . . . 10.0 111.94 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.8 m -79.92 153.21 29.13 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.304 -0.258 . . . . 10.0 110.304 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.7 m -97.22 118.0 32.68 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.626 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -106.72 130.49 54.43 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.271 -0.64 . . . . 10.0 109.271 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.5 123.52 36.86 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.551 0.215 . . . . 10.0 110.544 -179.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.3 tp -106.83 109.11 20.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.378 -0.374 . . . . 10.0 110.694 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.426 ' HA ' HD21 ' A' ' 8' ' ' LEU . 63.7 t -98.18 132.05 43.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.171 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.429 ' H ' HD11 ' A' ' 8' ' ' LEU . 94.9 mt -81.47 127.36 32.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.441 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 52.0 ttt180 -101.09 106.85 18.15 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.811 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.1 mt -92.83 133.96 35.55 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.234 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.0 ttt-85 -133.0 101.43 5.23 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.715 -0.476 . . . . 10.0 109.715 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.07 52.67 2.02 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.76 -0.733 . . . . 10.0 112.006 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.087 -1.396 . . . . 10.0 111.422 179.954 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 26.4 ptt? . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 120.859 0.362 . . . . 10.0 110.071 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -100.42 133.92 44.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.934 0.397 . . . . 10.0 110.97 -179.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 19.2 pt -119.74 160.44 19.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.092 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -109.27 114.5 28.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.883 0.373 . . . . 10.0 111.057 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 44.0 t -100.06 119.57 48.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.75 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 6.8 mttp -97.53 128.21 44.09 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.952 -179.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 19.1 p -102.8 160.24 14.77 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.065 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 56.1 mt -64.94 -14.66 60.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.0 0.428 . . . . 10.0 111.41 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.25 -16.37 40.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.783 179.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.88 11.23 47.23 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.987 -0.625 . . . . 10.0 112.855 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -93.0 133.34 36.23 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 122.708 -0.29 . . . . 10.0 110.443 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -100.99 115.15 29.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.404 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 7.4 mt -96.29 132.38 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.501 -0.318 . . . . 10.0 110.613 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.77 124.82 46.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.073 179.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 67.5 mt -126.94 140.2 52.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.265 -179.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -93.64 103.99 16.12 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.744 -0.836 . . . . 10.0 108.744 178.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.404 ' O ' ' HG2' ' B' ' 1' ' ' MET . 16.9 m -129.39 164.55 31.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.092 -178.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.503 ' O ' HD12 ' B' ' 56' ' ' LEU . 10.9 mm-40 -124.03 157.46 63.64 Favored Pre-proline 0 C--N 1.32 -0.68 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 179.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -55.96 -23.17 41.83 Favored 'Trans proline' 0 CA--C 1.531 0.368 0 C-N-CA 122.408 2.072 . . . . 10.0 112.691 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.95 4.93 46.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.307 -0.406 . . . . 10.0 112.059 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -81.42 153.09 27.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.886 0.374 . . . . 10.0 110.795 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m -99.53 146.96 25.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.737 -178.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.47 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 40.0 mm -56.58 -42.04 75.01 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.118 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -59.62 -35.52 74.52 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.865 0.364 . . . . 10.0 111.133 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -68.88 -35.36 76.79 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.682 -0.488 . . . . 10.0 109.682 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 44.2 t -64.15 -40.62 89.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.504 ' HE3' ' O ' ' B' ' 41' ' ' GLN . 5.5 mmmm -59.43 -44.56 92.88 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.567 -0.742 . . . . 10.0 109.462 178.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.82 -36.2 82.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.287 -0.87 . . . . 10.0 110.932 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -68.03 -42.27 80.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.384 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 73.0 mt -67.21 -34.21 67.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.595 0.712 . . . . 10.0 109.385 178.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -67.08 -34.52 77.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.159 -0.928 . . . . 10.0 110.494 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -79.5 -30.29 41.9 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.918 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 43.3 mttt -82.22 -52.76 6.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.522 -0.308 . . . . 10.0 111.608 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -88.83 -53.69 4.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.856 0.36 . . . . 10.0 111.115 -178.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.23 7.06 10.37 Favored Glycine 0 CA--C 1.517 0.167 0 C-N-CA 120.781 -0.723 . . . . 10.0 112.472 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 21.1 mt -86.81 126.31 63.94 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 122.827 -0.219 . . . . 10.0 110.72 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.447 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 34.3 Cg_exo -57.96 143.7 95.65 Favored 'Trans proline' 0 CA--C 1.532 0.416 0 C-N-CA 122.662 2.241 . . . . 10.0 112.181 179.152 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 31.2 Cg_exo -58.89 -24.63 73.44 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.894 2.396 . . . . 10.0 113.396 -179.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.57 -22.84 63.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 10.0 111.362 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -103.21 0.62 31.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.07 0.462 . . . . 10.0 110.404 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.504 ' O ' ' HE3' ' B' ' 27' ' ' LYS . 67.0 mt-30 -94.28 113.9 25.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.747 -0.661 . . . . 10.0 111.172 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.468 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 2.7 ttt180 -113.12 108.47 17.35 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.739 -0.837 . . . . 10.0 108.739 178.057 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 25.0 mt -94.39 126.58 39.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.006 0.432 . . . . 10.0 111.757 -177.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.553 HG21 ' CZ ' ' D' ' 468' ' ' PHE . 1.6 mp -120.87 133.2 68.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.615 -0.72 . . . . 10.0 110.447 179.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.778 ' HB3' HD21 ' B' ' 50' ' ' LEU . 59.0 t80 -133.05 126.05 30.98 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.055 -0.72 . . . . 10.0 109.055 178.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.96 34.17 16.93 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.288 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.2 24.88 70.05 Favored Glycine 0 CA--C 1.52 0.395 0 CA-C-N 116.061 -0.518 . . . . 10.0 113.779 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 31.6 mtmm -141.45 152.25 44.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.82 0.31 . . . . 10.0 110.399 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.09 135.51 33.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.018 0.437 . . . . 10.0 110.98 -179.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.778 HD21 ' HB3' ' B' ' 45' ' ' PHE . 31.3 mt -91.89 147.69 22.78 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.17 179.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -99.54 142.55 30.87 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.505 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.2 -21.99 65.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.858 -0.61 . . . . 10.0 112.094 -179.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.03 30.19 7.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 10.0 113.328 -179.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' B' ' 54' ' ' ARG . 33.0 mmt-85 -129.62 161.38 30.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 117.004 0.402 . . . . 10.0 110.178 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.06 162.35 13.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.317 179.421 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.503 HD12 ' O ' ' B' ' 18' ' ' GLU . 86.8 mt -63.67 -24.23 67.7 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.808 0.337 . . . . 10.0 111.277 -179.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.89 -33.34 59.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.827 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -60.06 -45.88 91.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.81 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.401 ' OH ' ' HG3' ' B' ' 54' ' ' ARG . 62.0 m-85 -83.75 -1.29 53.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.065 179.594 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 59.39 39.43 22.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.7 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 56.2 mt -72.63 108.63 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.196 -0.456 . . . . 10.0 109.934 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -91.22 -174.61 4.01 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.383 -179.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.99 156.51 36.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.355 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 64.81 12.67 7.9 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 122.921 0.488 . . . . 10.0 111.985 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 18.9 m -81.76 160.57 23.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.799 0.333 . . . . 10.0 110.113 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 2.7 m -117.89 131.41 56.53 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.014 0.435 . . . . 10.0 111.637 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -112.93 131.97 55.52 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.873 -0.788 . . . . 10.0 108.873 178.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -92.84 124.16 36.63 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.723 0.296 . . . . 10.0 110.374 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.4 tp -102.78 107.52 18.41 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.106 0.479 . . . . 10.0 110.159 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.468 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 51.1 t -102.49 140.05 21.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.644 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 79.2 mt -109.52 155.62 21.14 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.38 -0.6 . . . . 10.0 109.38 179.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.4 164.8 28.9 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.872 0.368 . . . . 10.0 111.291 -179.256 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.444 HD13 HG12 ' D' ' 488' ' ' ILE . 3.8 mp -128.48 119.71 25.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.325 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -117.58 13.11 14.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.701 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 116.99 -14.92 13.76 Favored Glycine 0 N--CA 1.449 -0.459 0 N-CA-C 111.105 -0.798 . . . . 10.0 111.105 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.887 -0.952 . . . . 10.0 111.055 179.736 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 110.7 -0.111 . . . . 10.0 110.7 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 60.37 17.1 6.84 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 122.72 0.408 . . . . 10.0 111.646 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.72 -49.18 74.07 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.695 -178.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -69.51 -36.62 76.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.096 0.474 . . . . 10.0 110.403 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 79.7 mt -65.57 -37.79 87.67 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.996 -0.547 . . . . 10.0 109.96 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -63.4 -41.97 98.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.056 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -66.99 -41.46 86.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.776 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 3.2 mtm -65.51 -41.35 93.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.745 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.38 -42.99 95.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.625 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -61.94 -34.95 77.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.925 -0.579 . . . . 10.0 110.631 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -61.42 -37.16 82.49 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.135 0.493 . . . . 10.0 110.077 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 72.2 mt -75.83 -40.9 39.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.987 -0.551 . . . . 10.0 109.635 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 465' ' ' GLN . . . . . 0.553 HE21 HG23 ' A' ' 9' ' ' THR . 33.5 tp60 -59.16 -35.41 73.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.89 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -64.14 -18.09 64.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.494 -0.776 . . . . 10.0 111.568 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . . . . . . . . . 47.5 mtm -107.75 -39.86 5.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.354 -0.385 . . . . 10.0 110.688 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 468' ' ' PHE . . . . . 0.553 ' CZ ' HG21 ' B' ' 44' ' ' ILE . 96.4 m-85 -119.17 85.75 30.83 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.716 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -84.27 12.82 2.91 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.895 2.397 . . . . 10.0 111.942 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -103.79 10.29 36.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.923 -0.58 . . . . 10.0 111.165 -179.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 471' ' ' VAL . . . . . 0.421 HG12 ' O ' ' D' ' 468' ' ' PHE . 7.2 p -123.39 134.21 25.06 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.088 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 472' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.42 122.18 11.26 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.617 2.211 . . . . 10.0 112.504 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -51.03 -42.93 60.79 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.679 -0.692 . . . . 10.0 112.705 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 27.2 p-80 -64.71 -26.03 68.2 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.833 0.309 . . . . 10.0 111.833 -179.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 475' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' D' ' 475' ' ' LEU . 31.3 mt -79.04 -31.98 44.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.818 0.342 . . . . 10.0 110.427 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 40.6 t -65.72 -41.76 91.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 178.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 16.0 mt -66.46 -19.44 65.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.352 -0.84 . . . . 10.0 110.806 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -73.38 -50.93 19.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.43 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -68.02 -33.73 75.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.851 0.358 . . . . 10.0 110.16 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.55 -25.73 66.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.056 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -91.66 -5.74 53.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 10.0 110.942 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -103.91 -56.5 2.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.901 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 65.9 p -86.17 -39.64 16.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.079 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 61.33 34.6 18.4 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.663 -0.699 . . . . 10.0 110.754 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -152.33 112.95 4.13 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 5.6 m -52.53 -34.18 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 O-C-N 123.411 0.445 . . . . 10.0 111.99 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -59.59 -47.84 83.98 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.001 0.429 . . . . 10.0 110.709 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 488' ' ' ILE . . . . . 0.444 HG12 HD13 ' B' ' 73' ' ' LEU . 15.4 mt -74.77 -42.95 47.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.981 -179.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 489' ' ' THR . . . . . . . . . . . . . 78.5 m -54.46 -52.62 61.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.795 -0.639 . . . . 10.0 112.664 -178.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 2.4 m -60.61 -44.65 96.05 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.131 0.419 . . . . 10.0 112.131 -178.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -68.43 -36.8 79.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.067 0.461 . . . . 10.0 109.944 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 492' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' D' ' 488' ' ' ILE . 1.0 OUTLIER -57.43 -45.69 84.38 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.538 -0.756 . . . . 10.0 110.169 179.062 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 493' ' ' ILE . . . . . . . . . . . . . 73.3 mt -66.34 -44.42 90.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.532 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.02 -31.27 72.43 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.311 -179.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -75.24 -28.59 59.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.332 . . . . 10.0 111.388 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 110.73 21.67 6.68 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.741 -0.742 . . . . 10.0 112.964 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 497' ' ' ARG . . . . . 0.438 ' HB3' HD12 ' D' ' 498' ' ' ILE . 9.9 tpp180 -72.74 -34.54 67.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.265 0.555 . . . . 10.0 109.589 179.276 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 498' ' ' ILE . . . . . 0.438 HD12 ' HB3' ' D' ' 497' ' ' ARG . 3.2 mp -99.95 137.87 26.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.293 -0.867 . . . . 10.0 109.03 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -64.68 111.02 2.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.071 0.462 . . . . 10.0 111.993 -179.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 30.4 m -75.7 151.86 84.88 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.312 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.94 120.74 8.41 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.707 2.272 . . . . 10.0 112.744 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 502' ' ' PHE . . . . . 0.443 ' CG ' ' HD2' ' D' ' 503' ' ' PRO . 0.2 OUTLIER -136.76 149.82 68.12 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.678 -0.692 . . . . 10.0 109.404 -179.552 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 503' ' ' PRO . . . . . 0.443 ' HD2' ' CG ' ' D' ' 502' ' ' PHE . 9.3 Cg_endo -54.31 120.42 7.97 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.75 2.3 . . . . 10.0 111.947 179.212 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--O 1.25 1.09 0 CA-C-O 117.704 -1.141 . . . . 10.0 109.826 -179.542 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.4 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 25.6 ptt? . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 110.345 -0.242 . . . . 10.0 110.345 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -110.19 139.58 45.21 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.556 -0.293 . . . . 10.0 110.606 -179.697 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.0 pt -125.06 160.53 30.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.968 -0.382 . . . . 10.0 109.968 178.747 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.415 ' O ' ' HA ' ' A' ' 66' ' ' THR . 71.8 m-85 -115.13 114.02 24.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.91 0.386 . . . . 10.0 110.851 -179.224 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 59.1 t -106.2 116.46 50.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.108 -0.496 . . . . 10.0 109.72 179.328 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.8 tttp -102.44 133.6 47.12 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.969 0.414 . . . . 10.0 110.45 -179.529 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.4 p -95.8 170.55 9.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.345 179.639 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.69 -4.78 21.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 10.0 111.497 -179.757 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 39.9 p -97.31 -1.61 44.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.218 0.532 . . . . 10.0 110.691 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.96 -19.25 53.18 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.771 -0.65 . . . . 10.0 112.019 -179.809 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp -64.94 119.56 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.036 0.446 . . . . 10.0 110.648 -179.72 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.6 m -102.08 126.05 48.92 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.128 -179.867 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.7 mt -112.02 138.34 41.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.017 -178.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 m -102.38 131.17 49.18 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.754 -0.832 . . . . 10.0 108.754 178.316 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.7 mt -123.88 145.39 49.15 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.101 0.408 . . . . 10.0 112.101 -178.439 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -92.33 108.3 19.85 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.413 -0.958 . . . . 10.0 108.413 178.221 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.4 ' O ' ' HG2' ' A' ' 1' ' ' MET . 30.0 m -135.07 168.85 22.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.188 0.518 . . . . 10.0 111.547 -178.602 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.561 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 76.7 mm-40 -129.7 159.46 69.56 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 108.869 -0.789 . . . . 10.0 108.869 178.87 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -56.05 -28.29 68.8 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 122.279 1.986 . . . . 10.0 112.337 179.539 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.53 9.39 13.67 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.89 -0.596 . . . . 10.0 111.529 -179.809 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.561 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 1.8 m-20 -88.61 139.17 30.74 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.927 0.394 . . . . 10.0 110.108 179.671 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -94.7 155.42 16.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.421 179.78 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.431 HD12 HD13 ' A' ' 50' ' ' LEU . 19.3 mm -57.31 -38.8 64.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.829 -0.434 . . . . 10.0 109.829 179.718 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -59.24 -44.82 92.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.509 -0.769 . . . . 10.0 110.226 178.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.451 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 9.7 t-20 -66.73 -38.63 87.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.505 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.1 t -64.14 -40.42 89.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.389 179.514 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -63.37 -34.5 77.87 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.091 179.195 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.29 -31.73 72.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.516 179.157 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 61.2 mttt -68.67 -37.71 79.83 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.629 -0.508 . . . . 10.0 109.629 178.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 63.8 mt -72.06 -33.75 48.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-O 121.26 0.552 . . . . 10.0 109.847 178.795 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -64.76 -37.37 87.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.492 -0.776 . . . . 10.0 110.885 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -81.31 -26.83 35.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.074 0.464 . . . . 10.0 110.99 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -78.7 -56.17 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.454 -179.457 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -94.85 -51.5 4.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.876 0.369 . . . . 10.0 111.442 -178.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.19 2.36 10.06 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.023 -0.608 . . . . 10.0 112.263 -179.304 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.9 mt -75.46 124.93 89.22 Favored Pre-proline 0 C--N 1.327 -0.392 0 O-C-N 122.905 -0.173 . . . . 10.0 110.878 -179.77 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 27.0 Cg_exo -62.33 137.5 65.85 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.692 2.261 . . . . 10.0 112.003 179.565 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 37.5 Cg_exo -57.95 -21.6 50.42 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.008 2.472 . . . . 10.0 112.805 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -68.98 -25.62 64.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.363 0.601 . . . . 10.0 110.277 179.279 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -107.23 9.34 30.16 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.696 -179.447 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -99.56 115.99 30.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.246 -179.624 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -118.1 100.63 7.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.809 0.338 . . . . 10.0 110.114 178.644 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 36.0 mt -88.7 132.27 34.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.048 -179.554 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -125.21 132.77 70.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.585 179.528 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.507 ' HB3' HD21 ' A' ' 50' ' ' LEU . 89.0 t80 -132.67 126.4 32.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.076 179.674 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.84 28.39 15.94 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.083 0.468 . . . . 10.0 111.641 179.433 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.26 -4.03 86.38 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.967 -0.635 . . . . 10.0 113.157 179.568 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -106.25 132.09 52.71 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.055 0.455 . . . . 10.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -75.77 129.36 36.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.769 -0.65 . . . . 10.0 109.454 179.397 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.507 HD21 ' HB3' ' A' ' 45' ' ' PHE . 21.8 mt -80.02 147.29 31.58 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.343 -0.389 . . . . 10.0 110.461 -179.629 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -89.58 -144.47 0.16 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.015 -0.538 . . . . 10.0 109.748 179.395 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.5 -59.83 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.656 -0.418 . . . . 10.0 111.8 -179.188 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.32 44.9 3.26 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.99 -0.624 . . . . 10.0 113.153 -178.672 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -125.3 151.96 45.31 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.642 -0.503 . . . . 10.0 109.642 179.862 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.2 p -93.97 165.15 12.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.665 0.269 . . . . 10.0 110.397 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.404 ' HB3' ' HB ' ' A' ' 61' ' ' ILE . 85.9 mt -64.74 -33.48 76.08 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.003 0.43 . . . . 10.0 110.563 179.739 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.81 -23.4 66.04 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.056 179.35 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -66.83 -25.29 66.36 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.0 0.429 . . . . 10.0 110.909 179.866 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -110.75 7.69 22.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.83 -179.873 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.8 t30 64.97 31.71 11.09 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.397 -0.82 . . . . 10.0 111.287 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.404 ' HB ' ' HB3' ' A' ' 56' ' ' LEU . 93.1 mt -79.02 119.57 28.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 109.2 -0.667 . . . . 10.0 109.2 179.129 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -113.7 -164.57 0.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.228 0.537 . . . . 10.0 111.427 -178.46 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.1 pttt -68.41 140.06 55.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.675 -0.693 . . . . 10.0 111.691 -179.449 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 57.46 44.54 21.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.26 -0.882 . . . . 10.0 112.282 179.28 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.5 m -98.61 143.83 28.57 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 178.368 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 22.6 m -95.05 121.63 36.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.228 0.537 . . . . 10.0 111.691 -179.413 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -113.11 147.37 37.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.514 -0.766 . . . . 10.0 109.105 179.092 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -108.86 134.63 51.28 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.848 0.356 . . . . 10.0 110.736 179.702 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.8 tp -111.75 110.43 20.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.989 -0.551 . . . . 10.0 111.008 -179.789 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.6 t -94.58 133.7 34.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.02 179.674 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.0 mt -82.27 130.95 35.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.874 -179.631 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -114.17 109.41 18.37 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.915 0.388 . . . . 10.0 110.675 179.817 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.6 mt -98.87 136.25 39.15 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 110.069 -0.345 . . . . 10.0 110.069 179.724 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 74' ' ' ARG . 11.2 ttp180 -141.13 111.39 6.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.67 -151.7 22.61 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.814 -0.708 . . . . 10.0 112.897 179.12 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.865 0 CA-C-O 118.529 -1.151 . . . . 10.0 112.193 179.857 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.479 1.012 0 N-CA-C 110.117 -0.327 . . . . 10.0 110.117 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -110.01 139.51 45.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.739 -179.621 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.6 pt -127.18 158.4 38.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.738 178.79 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -115.64 115.08 25.77 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.648 -0.251 . . . . 10.0 110.641 -179.585 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -98.99 121.13 49.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 110.19 -0.3 . . . . 10.0 110.19 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 39.2 tttp -97.88 139.23 34.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.639 -0.255 . . . . 10.0 110.483 -179.288 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 41.6 p -117.16 172.9 6.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.228 -179.643 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 40.4 mt -82.29 -4.08 56.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.123 179.731 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.13 7.07 46.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.142 0.496 . . . . 10.0 110.573 179.786 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.27 37.61 71.29 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.813 -0.631 . . . . 10.0 112.265 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -128.62 110.67 12.45 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.796 0.331 . . . . 10.0 110.869 -179.496 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 20.3 m -87.11 123.67 32.42 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.411 -0.588 . . . . 10.0 109.411 178.694 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 37.1 mt -103.69 136.69 35.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.404 -179.017 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.37 134.0 36.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.011 -0.541 . . . . 10.0 109.659 178.318 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 18.0 mt -134.61 131.41 37.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.848 0.356 . . . . 10.0 111.569 -179.788 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -88.5 105.83 17.88 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.06 178.306 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 29.6 m -136.45 169.9 19.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.378 -179.684 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.417 ' O ' HD12 ' B' ' 56' ' ' LEU . 5.7 mm-40 -126.18 157.83 68.55 Favored Pre-proline 0 C--N 1.317 -0.809 0 N-CA-C 108.496 -0.927 . . . . 10.0 108.496 178.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -56.57 -23.86 50.66 Favored 'Trans proline' 0 CA--C 1.529 0.266 0 C-N-CA 122.14 1.893 . . . . 10.0 111.946 179.677 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.63 -3.63 53.97 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.568 -0.742 . . . . 10.0 112.185 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -78.54 147.96 33.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.919 0.39 . . . . 10.0 110.186 -179.795 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.1 m -93.66 145.23 24.71 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.772 -179.394 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.8 mm -52.66 -39.95 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-O 120.969 0.414 . . . . 10.0 110.963 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -58.11 -39.07 77.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.635 -0.711 . . . . 10.0 111.236 179.565 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -76.03 -33.73 59.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.82 0.343 . . . . 10.0 110.787 -179.808 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.13 -52.05 65.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.728 179.751 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.424 ' H ' ' HG2' ' B' ' 27' ' ' LYS . 13.6 ptmt -68.42 -26.61 65.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.387 179.823 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.91 -30.21 69.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.174 0.511 . . . . 10.0 109.873 178.736 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -71.87 -36.1 69.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.705 -0.68 . . . . 10.0 109.549 178.787 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 66.3 mt -69.48 -31.07 47.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 N-CA-C 108.781 -0.822 . . . . 10.0 108.781 178.176 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.5 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 8.0 tt0 -67.41 -23.87 65.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.979 -1.009 . . . . 10.0 109.861 178.662 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -87.55 -38.14 16.26 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.554 179.631 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -75.0 -57.57 3.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.386 -179.674 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -88.55 -47.44 8.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.854 0.359 . . . . 10.0 110.994 -179.022 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.5 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 114.17 -4.17 23.77 Favored Glycine 0 N--CA 1.454 -0.122 0 C-N-CA 120.456 -0.878 . . . . 10.0 112.485 -179.775 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 35.0 mt -65.07 125.81 89.98 Favored Pre-proline 0 C--N 1.324 -0.51 0 C-N-CA 122.287 0.235 . . . . 10.0 111.167 -179.461 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.46 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 31.8 Cg_exo -58.29 144.62 95.67 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.78 2.32 . . . . 10.0 112.258 179.56 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 26.5 Cg_exo -60.94 -24.53 79.62 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.774 2.316 . . . . 10.0 113.122 -179.475 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -65.53 -45.34 83.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.04 0.448 . . . . 10.0 111.299 -179.874 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -78.11 -14.93 59.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.64 -178.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -82.83 111.62 18.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.149 -0.478 . . . . 10.0 112.122 -178.852 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -113.18 113.08 24.84 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.926 -0.768 . . . . 10.0 108.926 178.218 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 41.1 mt -91.07 116.53 28.88 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.869 0.366 . . . . 10.0 111.295 -178.288 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -112.58 137.38 45.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.277 179.643 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.487 ' HB3' HD21 ' B' ' 50' ' ' LEU . 32.7 t80 -134.46 124.37 25.5 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.037 -0.727 . . . . 10.0 109.037 178.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.09 13.96 6.17 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.089 -0.505 . . . . 10.0 112.097 179.516 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.7 -3.87 39.41 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.651 -0.785 . . . . 10.0 113.739 179.349 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -119.89 157.82 27.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 117.442 0.621 . . . . 10.0 110.488 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -88.53 144.77 26.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.321 0.581 . . . . 10.0 111.578 -178.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.487 HD21 ' HB3' ' B' ' 45' ' ' PHE . 19.8 mt -95.88 139.38 32.17 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.429 -0.805 . . . . 10.0 109.722 179.25 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.484 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 1.9 mt-10 -80.47 139.68 36.3 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.574 -0.528 . . . . 10.0 109.574 179.674 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.44 -40.13 74.27 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.286 0.476 . . . . 10.0 112.286 -179.101 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.39 46.33 3.2 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.84 -0.695 . . . . 10.0 113.235 -179.222 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.484 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 34.1 mmt180 -133.57 162.0 33.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.907 0.354 . . . . 10.0 110.425 179.399 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.09 160.47 14.61 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.993 179.395 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.417 HD12 ' O ' ' B' ' 18' ' ' GLU . 96.7 mt -62.49 -35.28 78.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.86 0.362 . . . . 10.0 110.895 -179.548 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.16 -20.99 66.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.706 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -66.66 -32.85 74.43 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.834 0.349 . . . . 10.0 110.958 -179.331 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -105.02 9.22 34.5 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.824 0.345 . . . . 10.0 110.21 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 63.89 32.18 13.42 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.557 -0.747 . . . . 10.0 111.265 -179.847 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 67.0 mt -77.79 107.47 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.122 0.487 . . . . 10.0 110.033 179.58 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -97.05 -165.43 1.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.616 -0.72 . . . . 10.0 111.327 -179.172 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 31.1 pttt -76.29 152.02 36.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.771 -0.65 . . . . 10.0 111.035 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 69.83 16.05 7.84 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.818 0.699 . . . . 10.0 111.651 179.45 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 28.3 m -82.1 150.3 27.57 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.787 0.327 . . . . 10.0 110.698 179.669 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.1 m -107.69 130.06 54.96 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.335 179.821 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 20.1 mt -110.86 145.92 37.39 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.877 0.37 . . . . 10.0 110.866 -179.497 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.544 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 34.7 m170 -101.07 119.47 38.8 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.168 179.691 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 43.4 tp -99.96 100.23 11.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.029 0.442 . . . . 10.0 110.467 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.533 HG11 HD12 ' D' ' 494' ' ' LEU . 54.8 t -86.28 131.47 34.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.16 -179.408 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 31.6 mt -90.97 134.23 34.65 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.029 -0.73 . . . . 10.0 109.029 178.845 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.47 148.17 52.62 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 121.127 -0.229 . . . . 10.0 110.953 -179.786 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -165.35 90.37 0.48 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.408 179.576 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -89.98 -14.86 33.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.4 -0.363 . . . . 10.0 111.44 -179.474 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -101.64 -159.94 26.83 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.69 -0.767 . . . . 10.0 111.854 179.763 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.292 0 CA-C-O 118.458 -1.19 . . . . 10.0 111.693 179.92 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.476 0.83 0 CA-C-O 120.497 0.189 . . . . 10.0 110.645 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 65.12 26.87 12.48 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.037 179.813 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -40.62 96.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.469 -179.218 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -71.82 -43.09 66.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.054 0.454 . . . . 10.0 110.179 -179.797 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 457' ' ' LEU . . . . . 0.519 HD22 ' HB3' ' D' ' 480' ' ' LEU . 57.7 mt -63.82 -41.1 97.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -60.63 -41.88 95.78 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.385 -0.371 . . . . 10.0 110.872 179.861 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -67.55 -46.39 72.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.905 179.771 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 42.2 mtm -62.64 -40.96 98.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.643 179.757 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.18 -38.72 90.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.476 179.412 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -61.95 -43.48 98.75 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.257 -0.428 . . . . 10.0 110.527 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -57.82 -42.83 85.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.934 0.397 . . . . 10.0 110.723 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 52.8 mt -72.26 -37.17 57.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.987 -0.552 . . . . 10.0 110.034 179.309 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 -60.37 -33.69 72.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.072 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -68.99 -21.33 64.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.816 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . 0.544 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 8.2 mtm -101.48 -19.31 15.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.176 -179.688 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 468' ' ' PHE . . . . . 0.409 ' O ' HG12 ' D' ' 471' ' ' VAL . 0.5 OUTLIER -127.35 80.07 72.28 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-O 121.044 0.45 . . . . 10.0 109.876 179.119 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -77.23 39.45 0.73 Allowed 'Trans proline' 0 CA--C 1.531 0.339 0 C-N-CA 122.682 2.255 . . . . 10.0 112.946 -178.794 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -156.49 23.47 0.35 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.749 0.309 . . . . 10.0 111.299 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 471' ' ' VAL . . . . . 0.409 HG12 ' O ' ' D' ' 468' ' ' PHE . 14.0 p -120.18 134.67 24.09 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.651 -0.25 . . . . 10.0 110.424 -179.912 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 472' ' ' PRO . . . . . 0.458 ' O ' HG23 ' D' ' 476' ' ' VAL . 33.8 Cg_exo -61.4 119.71 6.99 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.501 2.134 . . . . 10.0 112.234 179.295 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -52.45 -45.09 65.88 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.706 -0.679 . . . . 10.0 111.881 -179.138 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 33.7 p-80 -61.57 -31.35 71.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.746 -179.317 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 475' ' ' LEU . . . . . 0.452 HD12 ' HG2' ' D' ' 472' ' ' PRO . 23.1 mt -76.3 -35.53 58.79 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.977 -0.379 . . . . 10.0 109.977 179.528 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 476' ' ' VAL . . . . . 0.458 HG23 ' O ' ' D' ' 472' ' ' PRO . 26.8 t -63.95 -41.4 92.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 109.213 -0.662 . . . . 10.0 109.213 178.69 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 78.8 mt -62.96 -35.27 79.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.521 -0.763 . . . . 10.0 110.099 178.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 478' ' ' GLN . . . . . 0.402 HE21 ' HB3' ' D' ' 478' ' ' GLN . 4.8 tt0 -63.89 -50.24 69.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.383 179.329 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -62.71 -40.67 97.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.211 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 480' ' ' LEU . . . . . 0.519 ' HB3' HD22 ' D' ' 457' ' ' LEU . 0.5 OUTLIER -59.94 -22.99 63.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.835 -0.621 . . . . 10.0 111.401 179.88 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -86.51 -15.59 39.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.941 0.4 . . . . 10.0 111.106 179.721 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -101.02 -52.53 3.26 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.075 -179.576 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 66.5 p -83.08 -49.66 9.3 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.946 -179.061 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 69.3 31.62 3.84 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.898 0.749 . . . . 10.0 110.782 179.744 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 2.0 t -147.16 125.58 12.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.149 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 28.4 m -60.35 -33.07 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 CA-C-N 116.631 -0.259 . . . . 10.0 111.642 -179.236 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -63.34 -53.97 44.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.045 0.45 . . . . 10.0 110.447 179.737 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 30.2 mt -65.56 -39.7 85.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.689 -0.687 . . . . 10.0 112.002 -178.694 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 489' ' ' THR . . . . . 0.44 ' O ' HG13 ' D' ' 493' ' ' ILE . 89.5 m -61.23 -53.13 60.77 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.714 0.264 . . . . 10.0 111.714 -179.4 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 1.4 m -64.3 -35.3 80.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.755 0.312 . . . . 10.0 110.579 -179.738 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -66.77 -39.66 87.94 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.491 -0.559 . . . . 10.0 109.491 179.007 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 492' ' ' ASN . . . . . 0.469 ' HB3' ' HB3' ' D' ' 497' ' ' ARG . 21.6 m-20 -59.41 -36.11 75.24 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.631 -0.713 . . . . 10.0 110.618 179.008 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 493' ' ' ILE . . . . . 0.44 HG13 ' O ' ' D' ' 489' ' ' THR . 47.8 mt -71.23 -37.01 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.443 179.185 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 494' ' ' LEU . . . . . 0.533 HD12 HG11 ' B' ' 70' ' ' VAL . 9.9 mt -82.41 12.81 4.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.894 -0.593 . . . . 10.0 111.408 -179.535 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -122.63 -86.13 0.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.081 -0.34 . . . . 10.0 110.081 179.103 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . -176.42 26.46 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.355 -0.926 . . . . 10.0 112.922 179.838 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 497' ' ' ARG . . . . . 0.469 ' HB3' ' HB3' ' D' ' 492' ' ' ASN . 9.6 tpp180 -90.17 -61.02 1.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.784 0.325 . . . . 10.0 110.262 179.927 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 31.7 mt -84.8 109.3 17.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 179.538 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -66.83 135.99 54.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.481 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 26.8 m -78.56 160.68 71.87 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.422 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -57.65 104.18 0.16 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.624 2.216 . . . . 10.0 111.41 179.41 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -111.19 133.8 21.25 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.358 -179.22 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -58.43 132.72 50.25 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.726 2.284 . . . . 10.0 111.823 179.253 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 8.5 t . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.138 -0.934 . . . . 10.0 109.59 -179.595 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 110.13 -0.322 . . . . 10.0 110.13 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -100.38 136.42 40.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.924 0.392 . . . . 10.0 111.548 -179.235 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.1 pt -126.57 164.85 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.746 -0.661 . . . . 10.0 109.787 178.74 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -122.06 114.46 20.96 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.784 0.326 . . . . 10.0 110.855 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.8 t -101.39 115.22 42.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 179.099 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.1 tttp -107.89 135.09 49.86 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.828 0.347 . . . . 10.0 110.921 -179.303 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.9 p -97.0 172.9 7.56 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.483 179.513 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 67.7 mt -67.02 -13.23 61.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.203 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.58 2.35 56.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.502 . . . . 10.0 111.06 179.864 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.23 -22.5 19.08 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.0 -0.619 . . . . 10.0 112.454 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -58.64 115.74 3.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.899 0.38 . . . . 10.0 110.573 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 m -102.87 128.67 49.55 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.525 -179.521 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mt -111.14 146.83 15.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.708 -179.211 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.7 m -107.37 126.66 52.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.177 179.539 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.8 mt -131.89 138.63 48.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.039 0.447 . . . . 10.0 111.153 -179.624 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -92.29 110.68 22.08 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.566 -0.743 . . . . 10.0 110.112 179.361 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.6 m -132.54 150.25 33.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.047 0.451 . . . . 10.0 110.803 -179.853 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -104.05 158.99 30.76 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.704 -0.68 . . . . 10.0 109.673 179.406 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.7 -15.86 33.92 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.671 2.247 . . . . 10.0 113.062 -179.852 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.99 11.59 29.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.501 -179.831 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -84.66 170.54 13.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.92 0.39 . . . . 10.0 110.281 179.779 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.459 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -121.8 144.37 48.85 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.449 -179.524 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.1 mm -54.96 -41.43 58.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-O 120.907 0.384 . . . . 10.0 110.909 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.54 -42.15 95.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.022 -0.536 . . . . 10.0 110.619 179.179 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -68.76 -39.63 80.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.912 -0.586 . . . . 10.0 110.814 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 22' ' ' THR . 98.0 t -59.62 -42.99 90.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.25 179.277 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -62.64 -34.09 76.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.412 179.39 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.71 -32.86 72.95 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.288 179.109 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -67.94 -41.71 82.1 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.418 -0.586 . . . . 10.0 109.418 178.745 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 54.3 mt -67.98 -35.34 71.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.854 -0.612 . . . . 10.0 109.568 178.711 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -61.07 -36.64 80.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.415 -0.811 . . . . 10.0 111.513 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -79.02 -23.49 44.32 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.414 0.524 . . . . 10.0 112.414 -178.345 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -95.32 -44.85 7.39 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.473 0.546 . . . . 10.0 112.473 -178.674 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -93.9 -26.68 16.77 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.644 0.259 . . . . 10.0 111.658 -178.801 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.87 11.38 63.62 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.616 -0.802 . . . . 10.0 112.523 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.0 mt -87.21 123.13 70.46 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 110.594 -0.151 . . . . 10.0 110.594 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -55.89 138.07 80.8 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.791 2.328 . . . . 10.0 112.457 179.8 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -63.91 -27.57 66.89 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.775 2.317 . . . . 10.0 112.453 -179.489 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -74.26 -20.65 60.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.5 179.773 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -107.87 17.58 22.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.529 -179.343 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -110.54 120.57 42.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.565 -0.743 . . . . 10.0 110.583 -179.833 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -122.71 115.39 21.99 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.99 -0.374 . . . . 10.0 109.99 179.256 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.4 mt -100.22 134.15 43.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.265 -179.249 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mp -125.95 135.28 64.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.137 179.378 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -127.94 117.62 22.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.455 179.407 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.31 21.43 10.91 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.727 -0.669 . . . . 10.0 112.157 179.498 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.99 -6.37 60.0 Favored Glycine 0 CA--C 1.517 0.165 0 C-N-CA 120.738 -0.744 . . . . 10.0 112.847 179.609 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -105.6 130.72 53.58 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.864 -0.421 . . . . 10.0 109.864 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -76.54 137.3 39.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.746 0.307 . . . . 10.0 110.309 -179.631 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.2 mt -89.52 130.29 35.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.986 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.474 ' HB2' ' CG ' ' A' ' 54' ' ' ARG . 32.6 mt-10 -82.25 153.03 26.09 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.814 -0.439 . . . . 10.0 109.814 179.231 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.83 -48.62 80.95 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.246 -0.433 . . . . 10.0 111.829 -179.256 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.9 54.76 4.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.796 -0.716 . . . . 10.0 113.014 -179.148 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.474 ' CG ' ' HB2' ' A' ' 51' ' ' GLU . 24.8 mmt180 -138.82 161.63 36.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 10.0 110.37 179.551 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 81.4 p -104.39 174.72 5.75 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.174 179.17 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.4 mt -73.1 -35.02 66.51 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.175 0.512 . . . . 10.0 110.069 179.415 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.38 -22.59 63.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.759 -0.655 . . . . 10.0 111.112 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 55' ' ' THR . 1.9 m-20 -58.75 -34.02 70.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.832 -0.622 . . . . 10.0 111.54 -179.855 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -109.17 18.43 20.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.448 -179.325 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.6 t30 58.96 34.32 23.54 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.7 mt -79.13 119.13 27.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.475 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -104.91 -167.85 1.4 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.611 -0.722 . . . . 10.0 109.613 179.319 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -75.34 159.66 31.19 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.316 -0.253 . . . . 10.0 110.316 179.263 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 62.81 30.21 16.67 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.885 179.273 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.5 m -94.86 142.07 27.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.76 0.314 . . . . 10.0 110.513 179.613 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.47 116.49 31.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.835 -179.919 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mp -101.22 137.57 39.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.961 -0.563 . . . . 10.0 109.676 179.797 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -97.81 121.43 39.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.256 -179.517 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.6 tp -104.55 117.88 35.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.587 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.1 t -103.35 134.22 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.438 179.854 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.8 mt -79.09 126.38 30.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.783 -179.841 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 40.1 ttt180 -111.64 85.07 2.06 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.277 -0.419 . . . . 10.0 110.566 -179.729 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.8 mt -68.94 139.76 55.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.088 -179.646 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -121.88 5.15 9.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.41 -179.829 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.3 -91.37 1.2 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.55 -0.833 . . . . 10.0 112.708 -179.835 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.239 -1.312 . . . . 10.0 111.284 -179.89 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.597 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 23.2 ptt? . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 120.915 0.388 . . . . 10.0 110.156 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -84.02 135.67 34.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.882 -179.252 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.9 pt -132.64 164.97 33.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.577 178.506 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.482 ' O ' ' HA ' ' B' ' 66' ' ' THR . 56.7 m-85 -125.72 121.18 32.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.696 -0.229 . . . . 10.0 110.559 -179.75 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 45.6 t -105.83 125.12 61.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.581 0.229 . . . . 10.0 110.411 179.7 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.5 ' HE2' ' OE1' ' D' ' 466' ' ' GLU . 45.7 tttp -102.77 142.43 33.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.857 0.361 . . . . 10.0 110.615 -179.821 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 16.6 p -118.13 162.09 18.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.594 179.825 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.4 HD22 ' HB ' ' D' ' 486' ' ' VAL . 18.0 mt -66.28 -15.9 63.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.057 0.456 . . . . 10.0 111.148 179.329 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.63 -2.33 57.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.833 179.491 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.62 26.49 58.86 Favored Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 115.88 -0.6 . . . . 10.0 112.604 179.572 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 35.2 tttm -108.98 126.91 53.6 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.166 -0.309 . . . . 10.0 110.166 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -96.83 123.07 40.43 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.368 179.756 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 28.4 mt -106.41 131.65 55.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.904 -179.168 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.93 131.94 49.51 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.089 -0.505 . . . . 10.0 109.717 179.332 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.477 HD11 HG12 ' B' ' 30' ' ' ILE . 9.2 mt -137.78 156.72 47.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.173 0.511 . . . . 10.0 111.994 -179.052 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -106.11 107.7 18.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.989 -1.005 . . . . 10.0 108.48 178.326 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.597 ' O ' ' HG2' ' B' ' 1' ' ' MET . 14.4 m -135.72 145.17 31.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.988 -178.654 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.553 ' O ' HD12 ' B' ' 56' ' ' LEU . 25.8 mm-40 -96.9 155.14 37.93 Favored Pre-proline 0 C--N 1.318 -0.779 0 N-CA-C 109.603 -0.518 . . . . 10.0 109.603 178.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -56.96 -22.82 48.37 Favored 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 122.461 2.107 . . . . 10.0 112.643 -179.896 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.86 12.66 29.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.867 -179.531 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -84.51 153.44 23.29 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.936 -0.394 . . . . 10.0 109.936 179.579 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.51 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.6 OUTLIER -92.07 148.63 22.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.544 -0.298 . . . . 10.0 111.336 -179.115 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 46.3 mm -58.31 -44.32 88.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.647 179.716 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.27 -34.71 74.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.657 179.662 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -71.4 -37.14 71.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.346 179.731 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.51 HG23 ' O ' ' B' ' 22' ' ' THR . 57.7 t -61.12 -41.39 89.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.421 -0.585 . . . . 10.0 109.421 178.586 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -66.44 -31.04 71.54 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.694 -0.685 . . . . 10.0 110.114 179.122 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.31 -33.73 76.4 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.19 0.519 . . . . 10.0 110.069 178.843 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -69.87 -38.86 76.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.631 -0.713 . . . . 10.0 109.768 179.112 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.477 HG12 HD11 ' B' ' 15' ' ' LEU . 45.1 mt -71.35 -32.56 47.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.575 0.702 . . . . 10.0 109.119 178.214 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.504 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 37.3 tt0 -64.52 -32.26 73.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.997 -1.001 . . . . 10.0 110.215 179.211 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -81.83 -41.3 21.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.994 179.875 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -69.53 -64.06 0.95 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.95 -0.568 . . . . 10.0 112.401 -179.152 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -83.38 -44.66 14.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.418 -0.355 . . . . 10.0 111.468 -178.467 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.504 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 100.6 41.8 2.64 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.552 -0.832 . . . . 10.0 112.076 -179.372 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 58.9 mt -107.69 125.37 32.38 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 110.525 -0.176 . . . . 10.0 110.525 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.22 138.63 54.66 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.859 2.373 . . . . 10.0 112.387 179.443 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.06 -17.06 54.47 Favored 'Trans proline' 0 C--O 1.236 0.375 0 C-N-CA 122.624 2.216 . . . . 10.0 112.411 -179.026 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -73.71 -33.1 64.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.722 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -93.64 -16.19 24.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.88 -179.422 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -74.72 93.78 2.62 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.844 -0.616 . . . . 10.0 111.667 -179.776 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.442 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 12.0 mtp180 -101.1 102.15 13.04 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.852 -0.795 . . . . 10.0 108.852 178.31 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.411 ' HB3' HD12 ' B' ' 50' ' ' LEU . 11.2 mt -83.83 134.63 34.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.995 0.426 . . . . 10.0 111.961 -178.609 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.2 mp -127.16 142.36 43.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.439 -0.8 . . . . 10.0 109.765 179.319 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.456 ' HB3' HD21 ' B' ' 50' ' ' LEU . 59.2 t80 -137.1 109.34 7.28 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.775 -0.454 . . . . 10.0 109.775 179.231 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.35 31.03 10.77 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.425 179.724 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.03 -6.55 79.03 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.656 -0.783 . . . . 10.0 113.338 179.189 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -109.12 140.65 42.41 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 122.633 -0.334 . . . . 10.0 110.185 179.879 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.05 143.43 43.48 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 110.209 -0.293 . . . . 10.0 110.209 179.859 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.456 HD21 ' HB3' ' B' ' 45' ' ' PHE . 81.3 mt -92.13 115.08 27.76 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.244 179.793 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.422 ' HB3' ' CG ' ' B' ' 54' ' ' ARG . 38.6 tt0 -67.38 122.29 17.6 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 178.867 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -53.57 -33.36 54.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.599 -0.728 . . . . 10.0 112.536 -177.939 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.78 24.4 6.7 Favored Glycine 0 CA--C 1.521 0.432 0 C-N-CA 120.88 -0.676 . . . . 10.0 113.745 -179.236 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.422 ' CG ' ' HB3' ' B' ' 51' ' ' GLU . 26.8 mmm-85 -122.56 171.56 9.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 117.335 0.567 . . . . 10.0 110.247 179.406 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.448 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 62.8 p -105.58 175.29 5.55 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.284 179.356 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.553 HD12 ' O ' ' B' ' 18' ' ' GLU . 78.1 mt -68.24 -29.75 68.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.113 0.482 . . . . 10.0 110.282 178.937 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 67.4 m -73.07 -19.13 61.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.842 179.857 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.4 m-20 -65.68 -28.58 69.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.712 179.566 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -116.56 14.76 15.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.856 -179.492 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 57.67 32.21 21.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.686 -0.688 . . . . 10.0 112.026 179.294 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 92.0 mt -69.98 122.88 22.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 179.306 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -113.18 -167.62 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.079 0.466 . . . . 10.0 111.201 -178.518 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 6.2 pttp -73.61 147.08 44.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.328 179.557 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 65.54 11.92 7.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.511 -0.768 . . . . 10.0 112.153 179.484 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 67.0 m -76.82 137.53 39.29 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.894 0.378 . . . . 10.0 110.011 179.177 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.482 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 2.0 m -93.8 124.98 38.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.923 -0.58 . . . . 10.0 111.242 -179.551 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 mp -106.1 154.2 20.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.774 179.499 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.477 ' HB3' ' SD ' ' D' ' 467' ' ' MET . 29.3 m80 -111.97 130.46 55.85 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.515 -0.311 . . . . 10.0 110.234 -179.924 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 50.1 tp -115.02 113.49 24.16 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.829 0.347 . . . . 10.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.442 ' HB ' ' HB2' ' B' ' 42' ' ' ARG . 58.8 t -92.86 125.07 45.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.436 179.842 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 49.1 mt -88.72 105.28 17.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.406 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.468 ' HD2' ' OD1' ' D' ' 491' ' ' ASP . 18.6 ttt85 -81.5 147.22 29.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.615 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 5.2 mp -128.18 -173.54 2.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.346 179.66 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -87.26 25.69 1.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.055 -179.87 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -111.63 7.19 28.03 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.901 -0.666 . . . . 10.0 111.95 179.774 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 CA-C-O 118.635 -1.092 . . . . 10.0 112.086 -179.661 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 120.476 0.179 . . . . 10.0 110.785 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 62.37 20.42 11.83 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 122.885 0.474 . . . . 10.0 111.426 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.57 -46.52 63.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.337 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -66.57 -36.56 82.94 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.838 -0.43 . . . . 10.0 109.838 179.314 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 77.2 mt -64.41 -42.94 95.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.899 -0.592 . . . . 10.0 110.035 179.147 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 -61.69 -46.31 90.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.168 179.734 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -63.99 -41.51 97.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.967 -0.56 . . . . 10.0 111.005 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 43.1 mtm -64.73 -36.16 83.39 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -67.15 -30.92 71.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.24 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 462' ' ' HIS . . . . . 0.442 ' O ' ' HG3' ' D' ' 466' ' ' GLU . 67.8 t60 -59.53 -43.86 93.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.795 -179.724 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.51 -33.61 70.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.18 0.514 . . . . 10.0 111.276 -179.673 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 84.6 mt -77.24 -35.64 22.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.363 179.712 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -65.77 -29.86 70.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.634 179.677 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . 0.5 ' OE1' ' HE2' ' B' ' 6' ' ' LYS . 57.1 mt-10 -67.22 -23.4 65.72 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.514 179.252 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . 0.477 ' SD ' ' HB3' ' B' ' 68' ' ' HIS . 32.3 mtm -99.82 -37.28 9.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.716 -179.551 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 468' ' ' PHE . . . . . 0.428 ' O ' HG12 ' D' ' 471' ' ' VAL . 25.4 m-85 -118.51 90.8 40.12 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.192 179.453 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo -82.82 3.08 8.09 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.7 2.267 . . . . 10.0 112.371 -179.383 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -116.12 27.33 9.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.126 -179.738 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 471' ' ' VAL . . . . . 0.459 ' HA ' ' HD3' ' D' ' 472' ' ' PRO . 6.2 p -123.52 137.11 28.02 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.233 -0.439 . . . . 10.0 109.945 179.299 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 472' ' ' PRO . . . . . 0.57 ' HG2' HD12 ' D' ' 475' ' ' LEU . 22.8 Cg_exo -66.79 126.1 14.8 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.534 2.156 . . . . 10.0 112.696 179.516 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -55.12 -45.98 75.56 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.471 -0.786 . . . . 10.0 111.724 -179.483 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 44.7 p-80 -64.83 -25.02 67.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.784 -179.295 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 475' ' ' LEU . . . . . 0.57 HD12 ' HG2' ' D' ' 472' ' ' PRO . 12.4 mt -80.42 -33.6 36.8 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.074 -0.343 . . . . 10.0 110.074 179.315 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 89.6 t -67.61 -40.04 83.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 108.652 -0.87 . . . . 10.0 108.652 178.185 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . 0.449 ' O ' ' HG3' ' D' ' 481' ' ' GLN . 66.1 mt -64.68 -21.39 66.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.149 -0.932 . . . . 10.0 110.709 178.906 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -70.65 -52.43 21.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.236 179.609 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -67.22 -35.25 79.2 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.976 0.417 . . . . 10.0 110.253 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -25.37 62.83 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.749 -0.659 . . . . 10.0 111.226 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 481' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' D' ' 477' ' ' LEU . 77.8 mt-30 -85.25 -15.42 43.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.701 0.286 . . . . 10.0 111.218 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 482' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' D' ' 482' ' ' LEU . 2.1 mm? -98.06 -58.19 2.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.472 -0.331 . . . . 10.0 110.955 -179.524 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 46.9 p -77.62 -44.07 29.48 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.826 0.346 . . . . 10.0 110.658 -179.376 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 68.77 32.7 3.98 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.348 -0.842 . . . . 10.0 111.117 179.532 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 1.9 t -147.43 115.34 6.47 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.355 -0.839 . . . . 10.0 109.127 179.278 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 486' ' ' VAL . . . . . 0.4 ' HB ' HD22 ' B' ' 8' ' ' LEU . 13.0 m -58.12 -33.2 46.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.371 . . . . 10.0 111.335 -179.651 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 30.1 mp0 -63.28 -52.45 61.95 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.816 179.458 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 488' ' ' ILE . . . . . 0.408 ' O ' ' HB2' ' D' ' 492' ' ' ASN . 60.6 mt -67.09 -40.29 85.05 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.531 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.115 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 489' ' ' THR . . . . . 0.558 ' O ' HG13 ' D' ' 493' ' ' ILE . 65.1 m -57.79 -57.46 12.64 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.082 0.401 . . . . 10.0 112.082 -179.014 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 490' ' ' THR . . . . . 0.45 HG21 ' CE ' ' D' ' 467' ' ' MET . 2.5 m -58.21 -40.1 80.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.126 0.488 . . . . 10.0 111.1 -179.174 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 491' ' ' ASP . . . . . 0.468 ' OD1' ' HD2' ' B' ' 72' ' ' ARG . 6.6 t70 -68.43 -42.07 79.44 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.335 -0.848 . . . . 10.0 110.455 179.664 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 492' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' D' ' 488' ' ' ILE . 53.7 t30 -62.5 -29.36 70.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.383 -0.826 . . . . 10.0 110.633 179.367 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 493' ' ' ILE . . . . . 0.558 HG13 ' O ' ' D' ' 489' ' ' THR . 89.9 mt -63.29 -39.09 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.137 0 N-CA-C 109.329 -0.619 . . . . 10.0 109.329 178.338 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.11 -21.46 65.85 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.557 179.12 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -77.86 -16.52 58.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.83 179.629 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 93.33 14.48 53.79 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.801 -0.714 . . . . 10.0 112.873 179.834 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 497' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.73 -46.3 63.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.205 0.526 . . . . 10.0 110.508 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 3.0 mp -81.65 128.8 38.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.317 179.472 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 69.4 mm-40 -66.05 121.68 15.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.817 -179.439 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 7.2 m -74.13 150.72 87.9 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.369 179.473 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -55.76 116.05 2.89 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.621 2.214 . . . . 10.0 112.16 179.898 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -128.39 125.64 23.31 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.415 -179.845 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.02 97.53 0.41 Allowed 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.665 2.243 . . . . 10.0 111.927 179.658 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.097 -0.954 . . . . 10.0 109.482 179.919 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.51 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 26.2 ptt? . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.678 0.275 . . . . 10.0 110.359 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -101.0 129.68 46.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.626 179.798 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.2 pt -123.75 160.99 26.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.142 -0.481 . . . . 10.0 109.947 179.176 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.478 ' O ' ' HA ' ' A' ' 66' ' ' THR . 88.6 m-85 -122.64 122.8 39.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.636 0.255 . . . . 10.0 110.763 -179.443 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.8 t -109.14 120.32 60.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.796 -0.446 . . . . 10.0 109.796 179.271 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.2 mttp -106.85 135.35 48.55 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.994 0.425 . . . . 10.0 110.981 -179.502 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 69.0 p -97.33 176.53 5.86 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.358 179.279 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.8 mt -77.9 -7.12 56.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.028 0.442 . . . . 10.0 110.466 179.463 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.77 2.7 52.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.429 -179.767 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.24 27.5 44.13 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.996 -0.621 . . . . 10.0 112.398 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -101.15 125.88 47.81 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.277 -0.268 . . . . 10.0 110.277 -179.754 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.5 m -105.86 102.52 11.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.121 0.486 . . . . 10.0 110.404 179.687 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.4 mp -91.59 121.65 42.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.599 -179.806 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.86 134.83 33.99 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.494 179.052 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.52 147.48 37.85 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.557 0.218 . . . . 10.0 111.204 -179.183 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -113.96 108.43 17.02 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 178.771 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.51 ' O ' ' HG2' ' A' ' 1' ' ' MET . 2.8 m -138.04 -176.36 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.61 -0.723 . . . . 10.0 109.571 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.499 ' O ' HD12 ' A' ' 56' ' ' LEU . 16.1 mm-40 -132.7 160.03 70.07 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 110.255 -0.276 . . . . 10.0 110.255 179.717 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.527 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 50.7 Cg_exo -54.17 -27.21 45.7 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.851 2.367 . . . . 10.0 113.438 -179.869 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.77 0.18 44.89 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.207 0.447 . . . . 10.0 112.207 -179.396 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.83 140.12 35.59 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.889 0.376 . . . . 10.0 110.414 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -81.1 140.29 35.15 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.943 -0.572 . . . . 10.0 110.3 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.5 mm -54.51 -40.75 51.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 120.799 0.333 . . . . 10.0 111.331 -179.713 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.87 -41.76 87.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.414 179.309 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -67.49 -36.39 81.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.965 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.409 ' O ' HG13 ' A' ' 30' ' ' ILE . 86.3 t -61.71 -47.38 93.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.841 178.826 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -63.98 -36.02 82.59 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.197 179.295 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.32 -29.58 70.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.651 179.532 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -76.29 -35.3 58.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.151 179.078 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 26' ' ' VAL . 66.2 mt -67.24 -34.03 66.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.036 179.273 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -65.43 -31.42 72.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.728 179.579 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -78.15 -35.42 48.92 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.166 179.744 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -70.8 -61.38 1.79 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.997 179.566 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -88.79 -70.68 0.63 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.969 -179.07 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.8 44.36 0.13 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 10.0 112.126 -179.688 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.415 HG21 HD22 ' A' ' 71' ' ' LEU . 41.3 mt -114.57 126.64 27.69 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 110.478 -0.193 . . . . 10.0 110.478 -179.324 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.69 139.26 58.47 Favored 'Trans proline' 0 CA--C 1.533 0.436 0 C-N-CA 122.837 2.358 . . . . 10.0 112.377 179.434 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -65.65 -17.19 56.26 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.772 2.315 . . . . 10.0 112.157 -179.473 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -76.56 -33.21 58.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.573 -0.739 . . . . 10.0 110.364 179.398 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -95.09 -6.41 42.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.676 -179.558 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -84.75 111.72 19.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.85 -0.614 . . . . 10.0 111.918 -179.189 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.2 mtt180 -117.24 110.89 18.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.068 178.871 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 70.5 mt -98.1 126.88 43.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.114 -0.493 . . . . 10.0 111.264 -179.835 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -121.81 134.48 64.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.626 179.46 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -130.92 118.5 20.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.533 -0.303 . . . . 10.0 110.596 179.782 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.09 25.05 13.43 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.944 -0.571 . . . . 10.0 112.11 179.257 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.58 -17.14 58.83 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.894 -0.669 . . . . 10.0 112.57 179.873 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -94.91 132.59 39.57 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.034 0.445 . . . . 10.0 111.056 -179.719 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -79.1 133.12 36.77 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.343 179.325 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.6 mt -83.9 123.43 29.93 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.798 0.333 . . . . 10.0 110.742 -179.251 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.511 ' HB2' ' HG2' ' A' ' 54' ' ' ARG . 6.1 mt-10 -80.92 145.72 31.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.326 179.789 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -55.97 -49.12 74.45 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.654 0.613 . . . . 10.0 112.654 -178.797 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.77 32.88 3.36 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 120.731 -0.747 . . . . 10.0 114.641 -177.631 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.511 ' HG2' ' HB2' ' A' ' 51' ' ' GLU . 41.3 mmt-85 -124.63 167.15 14.91 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 117.665 0.732 . . . . 10.0 110.326 179.341 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.1 p -107.98 165.04 11.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.502 -0.317 . . . . 10.0 110.924 179.69 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.527 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 90.7 mt -63.5 -31.08 72.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.149 -179.848 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 p -70.99 -18.84 62.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.747 -179.574 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -66.57 -30.61 70.95 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.849 0.357 . . . . 10.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -107.03 13.05 27.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.487 -179.602 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 59.0 32.33 22.18 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.273 -0.876 . . . . 10.0 111.56 -179.693 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.0 mt -73.78 111.17 8.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.837 -0.431 . . . . 10.0 109.837 179.73 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -103.2 -164.93 1.12 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.628 -179.287 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -74.68 155.38 37.8 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.695 0.283 . . . . 10.0 111.256 -179.724 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 65.15 13.74 8.93 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.655 -0.702 . . . . 10.0 112.401 179.656 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.3 m -78.67 145.18 34.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.734 0.302 . . . . 10.0 110.549 179.821 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.478 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 72.1 m -106.22 119.62 39.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.779 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 mp -102.08 147.91 26.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.637 -0.71 . . . . 10.0 109.645 179.63 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 22.9 m80 -104.85 128.88 53.2 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.981 -0.377 . . . . 10.0 109.981 179.9 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.1 tp -109.12 112.36 24.49 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.052 0.453 . . . . 10.0 111.11 -179.611 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.4 t -105.66 133.29 50.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.677 -0.692 . . . . 10.0 109.186 178.928 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.415 HD22 HG21 ' A' ' 36' ' ' ILE . 61.8 mt -101.03 134.01 44.66 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.716 0.293 . . . . 10.0 110.849 -179.244 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 47.9 ttt-85 -101.05 119.28 38.51 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.563 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 98.1 mt -86.37 144.07 27.52 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.308 179.372 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.67 131.63 26.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.072 179.815 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 141.11 -88.11 0.19 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.914 -0.66 . . . . 10.0 112.161 179.465 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.198 0 CA-C-O 118.735 -1.036 . . . . 10.0 111.191 -179.78 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptt? . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 110.154 -0.313 . . . . 10.0 110.154 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 60.4 mm-40 -107.75 145.34 33.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.845 0.355 . . . . 10.0 111.543 -179.149 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 23.3 pt -130.98 161.07 41.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.675 178.624 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -114.36 108.24 16.63 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.655 0.264 . . . . 10.0 110.871 -179.287 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 83.5 t -95.58 118.07 41.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.441 -0.577 . . . . 10.0 109.441 178.877 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -103.22 139.1 39.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.046 0.45 . . . . 10.0 111.051 -178.879 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 7.9 p -111.68 168.08 9.84 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.749 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 28.0 mt -69.51 -13.07 62.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.163 179.804 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.83 -1.31 57.12 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.615 179.398 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.83 12.46 79.8 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.95 -0.568 . . . . 10.0 112.485 179.587 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -94.73 128.52 41.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.614 0.245 . . . . 10.0 110.401 -179.885 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.8 m -108.26 111.37 23.29 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 179.413 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mt -99.72 129.99 49.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.967 -0.56 . . . . 10.0 111.202 -178.244 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -94.71 129.37 41.65 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.276 -0.639 . . . . 10.0 109.276 178.457 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mp -131.85 153.17 50.46 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.946 0.403 . . . . 10.0 111.596 -179.229 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -94.83 118.05 31.13 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.405 -0.816 . . . . 10.0 109.807 179.571 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 14.0 m -137.54 165.91 25.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.602 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.554 ' O ' HD12 ' B' ' 56' ' ' LEU . 75.3 mm-40 -119.24 154.59 53.82 Favored Pre-proline 0 C--N 1.32 -0.702 0 N-CA-C 109.454 -0.573 . . . . 10.0 109.454 179.684 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -57.1 -29.5 83.45 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.319 2.013 . . . . 10.0 112.605 -179.713 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.88 4.64 51.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.151 -0.477 . . . . 10.0 111.561 -179.719 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -71.42 140.25 50.02 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.874 -0.417 . . . . 10.0 109.874 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.3 m -81.95 143.02 31.93 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.776 -179.405 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 50.8 mm -55.59 -35.61 39.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 116.255 -0.429 . . . . 10.0 111.207 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.52 -36.31 75.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.747 179.473 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.43 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 97.6 m-20 -65.73 -38.6 89.6 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 179.615 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 28.8 t -61.68 -42.09 92.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.749 -0.66 . . . . 10.0 109.915 179.492 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -58.56 -42.23 87.46 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.692 -0.685 . . . . 10.0 110.246 179.425 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.4 -39.59 85.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.872 179.741 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 98.9 mttt -63.42 -42.43 98.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.601 179.791 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 90.7 mt -64.94 -34.95 73.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.094 0.473 . . . . 10.0 110.175 179.298 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.406 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 61.2 tt0 -66.85 -29.79 69.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.689 179.741 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -76.55 -18.32 58.75 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.863 0.363 . . . . 10.0 111.061 179.864 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -98.18 -55.91 2.63 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.321 -0.399 . . . . 10.0 111.346 -179.616 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -85.81 -38.05 18.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.163 0.506 . . . . 10.0 111.467 -179.128 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 98.94 2.01 57.18 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.913 -0.66 . . . . 10.0 111.943 -178.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.9 mt -78.78 120.64 81.64 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 110.205 -0.295 . . . . 10.0 110.205 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 32.0 Cg_exo -58.36 143.96 96.86 Favored 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 122.521 2.148 . . . . 10.0 111.918 179.183 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 48.0 Cg_exo -55.72 -25.11 49.51 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.215 2.61 . . . . 10.0 113.037 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -68.5 -17.24 64.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.436 . . . . 10.0 111.079 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -114.52 9.58 16.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.389 -179.844 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -100.98 126.26 47.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.331 -179.317 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -123.36 106.09 10.38 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.143 -0.481 . . . . 10.0 109.793 178.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 37.5 mt -93.06 123.19 36.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.983 -178.898 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.414 HG12 ' CZ ' ' D' ' 468' ' ' PHE . 1.6 mp -119.39 133.98 64.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.479 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.759 ' HB3' HD21 ' B' ' 50' ' ' LEU . 81.1 t80 -137.14 129.57 29.87 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.306 -0.627 . . . . 10.0 109.306 179.203 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.59 34.46 22.33 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.022 -0.535 . . . . 10.0 111.482 -179.754 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.63 26.24 70.19 Favored Glycine 0 C--N 1.332 0.33 0 CA-C-N 115.96 -0.564 . . . . 10.0 113.799 178.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -147.39 159.83 43.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.948 0.374 . . . . 10.0 110.702 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -83.14 154.67 24.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.934 0.397 . . . . 10.0 111.647 -179.491 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.759 HD21 ' HB3' ' B' ' 45' ' ' PHE . 28.0 mt -112.67 135.43 53.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.614 179.033 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.48 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 7.4 mt-10 -83.04 147.07 28.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.831 0.348 . . . . 10.0 110.288 179.816 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.62 -29.97 69.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.359 -179.192 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.11 37.7 3.3 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.796 -0.716 . . . . 10.0 112.693 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.48 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 33.3 mmt180 -134.07 166.25 23.18 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.052 -0.351 . . . . 10.0 110.052 179.436 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.565 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 35.6 p -106.89 171.82 7.16 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.076 -0.511 . . . . 10.0 109.871 178.845 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.554 HD12 ' O ' ' B' ' 18' ' ' GLU . 88.3 mt -68.48 -38.4 80.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.939 0.399 . . . . 10.0 110.693 179.835 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 24.6 m -69.25 -12.84 62.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.134 179.864 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.565 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.0 OUTLIER -66.61 -34.55 78.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.053 0.454 . . . . 10.0 110.544 179.705 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -108.83 19.5 19.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.19 -179.225 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 61.2 31.52 19.54 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.328 179.633 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 82.8 mt -78.88 117.66 24.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.016 0.436 . . . . 10.0 110.643 -179.519 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -102.5 -169.68 1.7 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.21 179.636 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -80.85 157.96 25.51 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.596 -0.52 . . . . 10.0 109.596 178.793 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 67.13 18.72 10.45 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.62 0.575 . . . . 10.0 111.112 -179.891 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.8 m -87.62 150.9 23.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.473 -0.33 . . . . 10.0 110.408 179.614 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.7 m -102.15 127.8 48.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.07 179.759 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mp -111.43 133.67 53.56 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 179.441 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.588 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 54.4 m80 -92.31 119.29 31.74 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.565 -0.289 . . . . 10.0 110.692 -179.511 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 44.8 tp -101.68 101.01 11.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.116 0.484 . . . . 10.0 110.031 179.061 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 53.5 t -83.12 127.73 39.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.584 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 49.5 mt -82.86 146.55 28.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.987 179.712 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.418 ' HG3' ' CG ' ' D' ' 491' ' ' ASP . 26.3 ttt180 -145.71 130.92 18.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.559 179.854 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 11.3 mt -93.6 -169.08 2.03 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.777 179.858 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -116.41 -4.17 11.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.451 0.643 . . . . 10.0 109.832 178.66 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 166.0 139.81 2.74 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.257 -0.883 . . . . 10.0 111.008 -179.914 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.334 -1.259 . . . . 10.0 111.743 179.985 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 2.9 p . . . . . 0 N--CA 1.472 0.662 0 N-CA-C 110.368 -0.234 . . . . 10.0 110.368 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 64.03 28.28 14.3 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.864 179.777 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -64.04 -32.97 74.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.525 -179.685 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -64.15 -39.45 94.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.193 179.307 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 457' ' ' LEU . . . . . . . . . . . . . 42.6 mt -67.61 -45.4 75.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.08 179.53 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -59.73 -43.42 94.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.465 179.371 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -65.39 -44.76 86.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.122 179.836 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 57.1 mtm -65.23 -43.41 91.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -64.57 -38.46 91.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.497 179.605 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -58.76 -38.62 78.84 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.889 179.136 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 463' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -68.38 -38.98 81.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.394 179.514 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 76.7 mt -68.15 -35.0 69.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.481 179.696 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -61.41 -28.36 69.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.115 -179.807 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -86.91 -6.66 58.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.048 0.451 . . . . 10.0 110.816 179.507 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . 0.588 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 74.4 mmm -94.58 -39.21 10.49 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 179.172 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 468' ' ' PHE . . . . . 0.524 ' O ' HG12 ' D' ' 471' ' ' VAL . 0.9 OUTLIER -131.77 88.03 43.53 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.993 179.095 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -75.97 31.53 0.39 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.681 2.254 . . . . 10.0 112.93 -179.492 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -133.8 14.01 4.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.236 -179.765 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 471' ' ' VAL . . . . . 0.524 HG12 ' O ' ' D' ' 468' ' ' PHE . 11.4 p -119.41 135.92 24.29 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.178 -179.843 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 472' ' ' PRO . . . . . 0.443 ' O ' HG23 ' D' ' 476' ' ' VAL . 31.7 Cg_exo -60.82 116.48 3.38 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 122.569 2.179 . . . . 10.0 112.267 179.389 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -54.38 -41.21 68.95 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.798 -0.637 . . . . 10.0 112.282 -179.031 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -64.42 -25.69 68.13 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.681 0.276 . . . . 10.0 111.514 -179.461 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 475' ' ' LEU . . . . . 0.409 HD12 ' HG2' ' D' ' 472' ' ' PRO . 24.0 mt -83.95 -31.18 25.71 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.682 -0.488 . . . . 10.0 109.682 179.184 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 476' ' ' VAL . . . . . 0.443 HG23 ' O ' ' D' ' 472' ' ' PRO . 58.2 t -66.14 -46.95 86.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 178.687 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.01 -25.66 68.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.45 -0.796 . . . . 10.0 110.394 179.351 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 478' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -68.54 -45.72 71.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.152 179.268 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 479' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -66.04 -34.08 77.26 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 179.433 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -61.26 -17.86 55.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.449 -0.796 . . . . 10.0 111.224 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 481' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -83.5 -18.93 36.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.889 0.376 . . . . 10.0 110.837 179.334 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -103.66 -47.18 4.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.63 -178.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 55.6 p -87.11 -50.02 6.91 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.636 -0.256 . . . . 10.0 111.49 -179.041 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 20.1 mtt180 66.53 27.38 9.7 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.099 -0.501 . . . . 10.0 111.237 179.838 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 3.9 t -147.47 128.63 14.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.939 0.399 . . . . 10.0 110.851 -179.67 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 19.8 m -66.7 -24.13 32.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.844 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -75.45 -11.88 60.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.29 -179.78 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 488' ' ' ILE . . . . . . . . . . . . . 33.4 mt -109.04 -48.38 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.387 -0.369 . . . . 10.0 110.397 179.475 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 489' ' ' THR . . . . . 0.548 ' O ' HG13 ' D' ' 493' ' ' ILE . 35.4 m -55.76 -59.29 5.07 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.39 -0.368 . . . . 10.0 111.657 -179.553 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 490' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -35.02 74.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.482 -179.229 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 491' ' ' ASP . . . . . 0.418 ' CG ' ' HG3' ' B' ' 72' ' ' ARG . 0.0 OUTLIER -68.33 -52.44 33.36 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.646 -0.502 . . . . 10.0 109.646 178.776 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' D' D ' 492' ' ' ASN . . . . . 0.433 ' HB3' ' HB3' ' D' ' 497' ' ' ARG . 1.1 m-80 -60.81 -20.14 60.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.21 -0.905 . . . . 10.0 111.74 -179.845 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 493' ' ' ILE . . . . . 0.548 HG13 ' O ' ' D' ' 489' ' ' THR . 34.3 mt -64.7 -42.45 95.07 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 N-CA-C 109.384 -0.599 . . . . 10.0 109.384 178.116 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 5.6 mt -77.91 -12.93 60.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.204 179.56 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -84.82 -56.0 3.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.848 -0.614 . . . . 10.0 110.636 179.639 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 140.0 26.91 0.23 Allowed Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.629 -0.796 . . . . 10.0 112.732 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 497' ' ' ARG . . . . . 0.433 ' HB3' ' HB3' ' D' ' 492' ' ' ASN . 22.7 tpp180 -79.82 -53.41 6.81 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.59 -0.522 . . . . 10.0 109.59 179.189 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 498' ' ' ILE . . . . . . . . . . . . . 4.5 mp -86.94 124.9 40.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.403 179.394 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -71.25 126.88 30.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.084 0.468 . . . . 10.0 111.164 -179.322 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 26.5 m -74.02 164.52 60.57 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.172 179.527 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -69.32 73.07 1.19 Allowed 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.611 2.207 . . . . 10.0 112.269 179.54 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -75.27 129.66 81.95 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.679 -0.691 . . . . 10.0 109.847 179.602 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.39 100.57 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.664 2.242 . . . . 10.0 112.291 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.255 -0.879 . . . . 10.0 109.547 179.568 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.482 1.135 0 CA-C-O 120.624 0.25 . . . . 10.0 110.524 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -102.15 143.54 31.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.819 0.342 . . . . 10.0 111.383 -179.468 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.5 pt -132.61 163.0 38.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 177.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.516 ' O ' ' HA ' ' A' ' 66' ' ' THR . 47.3 m-85 -118.9 118.66 32.14 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.82 0.343 . . . . 10.0 110.898 -179.431 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.7 t -101.9 114.98 42.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.817 -0.438 . . . . 10.0 109.817 179.294 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -99.8 128.71 45.88 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.105 0.478 . . . . 10.0 110.69 -179.643 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.3 p -96.54 168.79 10.32 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.656 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.2 mt -64.45 -21.27 66.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.182 0.515 . . . . 10.0 110.271 179.106 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.82 -15.23 60.75 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.194 -0.912 . . . . 10.0 111.087 179.608 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.71 -1.96 64.14 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.845 -0.693 . . . . 10.0 111.714 -179.109 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -80.69 125.56 30.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.669 0.271 . . . . 10.0 110.316 -179.799 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -105.19 115.96 31.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.418 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.9 mt -103.41 128.94 56.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.728 -179.392 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.3 m -89.02 125.81 35.15 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.6 -0.518 . . . . 10.0 109.6 178.69 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.3 mt -123.17 146.99 47.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.871 0.367 . . . . 10.0 111.469 -179.28 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -97.71 112.72 24.49 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.794 -0.639 . . . . 10.0 109.684 178.851 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.8 m -135.76 -178.94 2.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.681 -0.691 . . . . 10.0 110.377 -179.541 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.479 ' O ' HD12 ' A' ' 56' ' ' LEU . 15.8 mm-40 -131.86 156.95 79.47 Favored Pre-proline 0 C--N 1.319 -0.722 0 N-CA-C 109.151 -0.685 . . . . 10.0 109.151 179.285 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.97 -36.93 93.62 Favored 'Trans proline' 0 CA--C 1.528 0.214 0 C-N-CA 122.081 1.854 . . . . 10.0 112.615 -179.768 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.04 15.9 4.67 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.234 0.457 . . . . 10.0 112.234 -179.117 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -81.7 146.56 29.95 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.196 -0.298 . . . . 10.0 110.196 179.597 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.42 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -89.95 144.81 25.6 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.809 -179.506 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.402 HG12 ' O ' ' A' ' 54' ' ' ARG . 44.8 mm -57.7 -40.0 73.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.871 0.367 . . . . 10.0 110.8 179.715 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -62.1 -36.31 81.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.269 179.187 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -69.32 -36.96 77.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.723 179.5 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 22' ' ' THR . 95.5 t -64.72 -38.53 82.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.527 -0.76 . . . . 10.0 109.827 178.917 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.411 ' HD2' ' OD2' ' A' ' 52' ' ' ASP . 86.5 mttt -59.21 -41.17 87.95 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.477 178.819 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.44 -34.01 77.21 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.326 179.362 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -68.36 -37.87 80.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.893 -0.594 . . . . 10.0 109.846 179.091 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 88.1 mt -70.43 -37.03 69.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.284 -0.635 . . . . 10.0 109.284 178.514 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.417 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 64.6 tt0 -67.04 -27.48 67.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.729 -0.669 . . . . 10.0 109.847 178.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -69.67 -40.26 76.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.051 178.86 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -78.81 -61.93 1.86 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.822 -0.626 . . . . 10.0 111.796 -179.257 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -79.34 -47.66 15.42 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -177.928 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 108.68 -9.54 34.88 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.62 -0.8 . . . . 10.0 111.814 -179.05 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.0 mt -68.63 123.98 89.03 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.761 -0.219 . . . . 10.0 111.022 -179.746 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 50.9 Cg_exo -55.7 147.78 58.45 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 123.097 2.531 . . . . 10.0 112.958 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 39.6 Cg_exo -60.05 -21.4 65.16 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.093 2.529 . . . . 10.0 112.861 -179.608 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.61 -25.68 64.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.06 -179.66 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -103.1 6.76 38.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.67 -179.266 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -99.86 118.65 36.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.81 -179.198 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -122.25 97.71 5.6 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 177.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.1 mt -85.39 132.73 34.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.009 -0.541 . . . . 10.0 111.49 -179.023 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mt -129.48 135.38 61.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.973 179.719 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.401 ' HB3' HD21 ' A' ' 50' ' ' LEU . 71.9 t80 -131.37 124.82 31.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.295 -0.411 . . . . 10.0 110.375 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.14 11.94 4.71 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 123.71 0.631 . . . . 10.0 112.333 179.041 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.51 -11.42 35.96 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.796 -0.716 . . . . 10.0 112.672 179.742 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -102.73 142.99 32.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.787 0.293 . . . . 10.0 110.582 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -82.26 137.22 34.92 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.411 -0.588 . . . . 10.0 109.411 179.127 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.401 HD21 ' HB3' ' A' ' 45' ' ' PHE . 20.7 mt -85.82 138.12 32.29 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.412 -0.358 . . . . 10.0 110.818 -179.362 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -92.46 135.24 34.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.05 -0.523 . . . . 10.0 109.895 178.796 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.411 ' OD2' ' HD2' ' A' ' 27' ' ' LYS . 1.9 m-20 -53.7 -36.51 62.3 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.822 0.675 . . . . 10.0 112.822 -178.913 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.38 25.62 7.91 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.588 -0.815 . . . . 10.0 113.994 -178.575 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.402 ' O ' HG12 ' A' ' 23' ' ' ILE . 73.2 mmt-85 -124.49 163.91 20.85 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 117.397 0.598 . . . . 10.0 110.671 179.826 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.3 p -104.16 170.4 7.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.526 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 18' ' ' GLU . 91.2 mt -67.26 -30.23 70.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.984 0.421 . . . . 10.0 110.361 179.26 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -23.79 64.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.206 179.523 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -68.68 -23.84 64.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.216 0.531 . . . . 10.0 110.704 -179.7 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -111.03 5.64 20.39 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.39 179.1 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 55.08 43.24 29.95 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 114.764 -1.107 . . . . 10.0 111.308 -179.85 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 68.4 mt -82.94 117.21 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.866 -0.606 . . . . 10.0 109.976 179.69 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -96.02 -175.91 3.53 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.283 179.738 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -71.6 156.54 39.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.8 0.333 . . . . 10.0 111.133 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 63.98 22.98 13.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.575 -0.739 . . . . 10.0 112.201 179.083 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.3 m -93.96 143.85 25.98 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.557 -0.535 . . . . 10.0 109.557 178.647 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.516 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 30.1 m -98.07 126.03 43.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.001 0.429 . . . . 10.0 111.528 -179.345 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -106.87 142.27 36.77 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.801 -0.814 . . . . 10.0 108.801 179.052 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -97.53 128.95 44.69 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.646 0.26 . . . . 10.0 110.357 -179.57 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.5 tp -111.67 108.87 18.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.007 0.432 . . . . 10.0 110.929 179.801 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.6 t -98.14 130.15 47.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.903 -0.589 . . . . 10.0 109.496 178.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.7 mt -88.67 125.97 35.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.492 -179.737 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -94.75 124.97 39.11 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.581 -179.847 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.3 mt -110.16 163.54 13.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.439 -0.346 . . . . 10.0 110.384 179.922 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -97.22 137.45 36.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.232 -0.44 . . . . 10.0 109.931 179.821 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.71 63.14 4.42 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 121.065 -0.588 . . . . 10.0 112.298 -179.698 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.976 0 N-CA-C 110.774 -0.931 . . . . 10.0 110.774 179.501 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.485 1.28 0 CA-C-O 120.807 0.337 . . . . 10.0 110.256 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 -100.46 135.52 41.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.181 0.515 . . . . 10.0 111.595 -179.231 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 24.9 pt -120.86 163.26 18.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.432 -0.804 . . . . 10.0 109.672 178.687 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.502 ' O ' ' HA ' ' B' ' 66' ' ' THR . 72.7 m-85 -116.65 116.46 27.59 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.773 0.32 . . . . 10.0 111.034 -179.506 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 67.2 t -101.82 114.04 39.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.511 -0.551 . . . . 10.0 109.511 179.145 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -97.56 125.45 42.28 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.389 -0.369 . . . . 10.0 110.481 -179.041 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 19.3 p -101.12 163.69 12.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.799 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.458 HD11 HG21 ' D' ' 490' ' ' THR . 86.6 mt -66.26 -19.58 65.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.311 179.567 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.67 2.31 26.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.024 179.666 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.67 24.62 64.57 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 121.091 -0.576 . . . . 10.0 112.416 179.651 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -108.16 121.01 43.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.798 0.333 . . . . 10.0 110.346 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -100.37 107.43 19.19 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.17 -0.468 . . . . 10.0 109.925 179.449 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 7.3 mt -97.79 136.25 29.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.019 -178.665 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.63 144.41 27.32 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.524 -0.547 . . . . 10.0 109.524 178.946 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 60.2 mt -140.34 144.24 36.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.738 0.304 . . . . 10.0 111.586 -179.306 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -94.93 99.5 11.52 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.977 -0.749 . . . . 10.0 108.977 178.567 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 17.0 m -121.09 164.35 17.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.764 -179.122 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.408 ' O ' HD12 ' B' ' 56' ' ' LEU . 23.1 mm-40 -116.89 156.96 47.49 Favored Pre-proline 0 C--N 1.316 -0.867 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.135 -179.668 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.55 -27.01 81.03 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.301 2.001 . . . . 10.0 111.906 179.382 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.29 5.88 50.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.729 -0.669 . . . . 10.0 111.606 -179.612 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -78.54 144.22 35.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.968 0.413 . . . . 10.0 110.426 -179.666 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.417 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.2 OUTLIER -92.98 146.95 23.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.761 -179.128 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 46.7 mm -55.34 -37.49 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.413 -179.442 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -58.28 -43.5 88.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.711 179.43 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -69.58 -35.83 75.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.747 -179.821 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 22' ' ' THR . 81.1 t -61.38 -43.65 97.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.275 179.636 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -64.45 -32.75 74.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.822 179.7 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.18 -33.73 76.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 10.0 110.135 179.152 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -67.48 -34.75 77.79 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.288 179.292 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 59.5 mt -72.14 -33.13 45.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.558 178.891 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -68.3 -32.35 72.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.424 -0.807 . . . . 10.0 110.208 179.262 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -72.1 -36.45 69.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.92 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -80.39 -59.83 2.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.165 -0.471 . . . . 10.0 112.219 -179.146 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -86.59 -47.14 9.46 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.387 0.514 . . . . 10.0 112.387 -178.067 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.09 21.73 7.58 Favored Glycine 0 C--O 1.228 -0.237 0 C-N-CA 120.285 -0.959 . . . . 10.0 112.769 -179.743 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 57.8 mt -94.67 124.9 53.46 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.973 -0.38 . . . . 10.0 109.973 179.692 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.467 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 52.0 Cg_exo -54.28 131.59 45.92 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.547 2.165 . . . . 10.0 112.251 179.904 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 53.0 Cg_exo -55.81 -21.2 31.82 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.34 2.693 . . . . 10.0 113.175 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -71.37 -32.73 68.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.089 0.471 . . . . 10.0 110.243 179.547 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -89.66 -11.21 43.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.666 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -80.32 97.68 7.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.774 179.795 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.542 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 41.3 mtp180 -97.41 90.56 5.11 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 179.155 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 25.6 mt -76.76 130.27 37.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.652 -0.703 . . . . 10.0 111.653 -179.361 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mp -124.12 142.45 40.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.088 179.625 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -134.66 111.24 9.84 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.355 -0.609 . . . . 10.0 109.355 178.653 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.13 17.82 11.2 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.718 -0.674 . . . . 10.0 111.8 179.767 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.59 -3.99 42.96 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.675 -0.774 . . . . 10.0 112.795 179.603 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -110.6 140.49 44.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.584 0.192 . . . . 10.0 110.534 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.02 139.49 40.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.945 0.402 . . . . 10.0 110.517 179.513 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 62.1 mt -84.4 127.34 33.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.391 179.757 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.545 ' HB2' ' CG ' ' B' ' 54' ' ' ARG . 34.2 mt-10 -80.41 149.55 30.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.838 0.351 . . . . 10.0 110.299 179.439 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.67 -28.74 65.01 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.919 -0.582 . . . . 10.0 112.113 -178.198 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -94.02 31.21 6.78 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.935 -0.65 . . . . 10.0 113.417 -178.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.545 ' CG ' ' HB2' ' B' ' 51' ' ' GLU . 16.7 mmt180 -130.55 160.55 33.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 117.066 0.433 . . . . 10.0 109.984 179.565 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.484 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 56.7 p -105.04 171.11 7.49 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.096 -0.335 . . . . 10.0 110.096 179.348 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.408 HD12 ' O ' ' B' ' 18' ' ' GLU . 40.3 mt -64.28 -35.57 81.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.857 0.36 . . . . 10.0 111.167 -179.653 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 16.8 m -65.26 -22.83 66.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.098 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.484 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.8 m-20 -65.63 -30.28 70.98 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.196 -0.457 . . . . 10.0 111.295 -179.424 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -106.19 17.5 23.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.908 -178.549 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 64.01 22.57 12.99 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 120.712 0.291 . . . . 10.0 111.646 179.298 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 76.1 mt -77.28 128.14 38.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.885 0.374 . . . . 10.0 110.667 -179.559 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -128.2 -161.9 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.07 -0.513 . . . . 10.0 110.17 -179.429 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -69.49 148.57 49.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.642 0.258 . . . . 10.0 111.08 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 66.2 9.06 6.02 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.529 -0.759 . . . . 10.0 112.553 178.743 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 55.0 m -77.11 134.92 38.58 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.159 -0.311 . . . . 10.0 110.159 179.511 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.502 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 17.3 m -93.47 131.47 38.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.131 -179.816 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.8 mp -110.49 144.86 38.67 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.717 -0.674 . . . . 10.0 109.906 179.839 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.575 ' CD2' ' HA ' ' D' ' 467' ' ' MET . 26.4 m80 -96.23 135.85 37.49 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.111 -0.495 . . . . 10.0 109.699 179.718 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 51.9 tp -126.14 112.45 15.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.289 0.566 . . . . 10.0 111.454 -179.614 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.542 ' HB ' ' HB2' ' B' ' 42' ' ' ARG . 23.0 t -83.64 122.09 37.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.575 -0.739 . . . . 10.0 109.858 179.119 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 10.5 mt -86.64 109.42 19.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.181 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.67 145.66 33.08 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.911 0.386 . . . . 10.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.512 HD11 HG12 ' D' ' 488' ' ' ILE . 0.5 OUTLIER -124.57 171.57 9.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.07 -0.513 . . . . 10.0 109.763 179.424 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -151.84 -52.68 0.12 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.85 0.357 . . . . 10.0 110.593 179.504 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.62 35.18 23.25 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.697 -0.763 . . . . 10.0 111.994 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.87 -0.961 . . . . 10.0 111.078 -179.957 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' D' D ' 453' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 N--CA 1.476 0.86 0 N-CA-C 111.179 0.066 . . . . 10.0 111.179 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' D' D ' 454' ' ' ASN . . . . . . . . . . . . . 1.7 m120 58.79 26.05 14.25 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.103 0.252 . . . . 10.0 110.901 -179.47 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 455' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.07 -50.95 65.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.064 -0.516 . . . . 10.0 112.154 -178.564 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 456' ' ' GLN . . . . . . . . . . . . . 42.7 mm-40 -89.18 -32.28 17.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.914 0.388 . . . . 10.0 110.747 -179.879 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 457' ' ' LEU . . . . . 0.405 HD13 ' HG2' ' D' ' 481' ' ' GLN . 64.6 mt -60.67 -48.6 81.05 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.822 -0.626 . . . . 10.0 111.17 -179.727 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 458' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -65.4 -36.83 85.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.612 -0.267 . . . . 10.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 459' ' ' ALA . . . . . . . . . . . . . . . -66.62 -46.33 76.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.011 -179.87 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 460' ' ' MET . . . . . . . . . . . . . 74.0 mtm -64.41 -42.07 96.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.521 179.788 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 461' ' ' ALA . . . . . . . . . . . . . . . -69.14 -30.95 69.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.237 -179.77 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 462' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -57.12 -44.98 83.8 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.553 -0.294 . . . . 10.0 111.322 -179.838 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 463' ' ' GLN . . . . . 0.439 ' NE2' ' HA ' ' D' ' 463' ' ' GLN . 4.6 tp60 -64.5 -34.54 78.45 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.739 -0.384 . . . . 10.0 110.872 -179.299 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 464' ' ' ILE . . . . . . . . . . . . . 71.8 mt -69.41 -38.8 77.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.57 -0.53 . . . . 10.0 109.57 178.896 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 465' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -62.06 -35.7 79.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.283 -0.871 . . . . 10.0 111.007 179.697 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 466' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -72.12 -22.03 61.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.764 179.651 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 467' ' ' MET . . . . . 0.575 ' HA ' ' CD2' ' B' ' 68' ' ' HIS . 6.0 mtm -91.2 -26.66 18.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.16 -179.261 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 468' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -121.56 82.44 40.48 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 110.107 -0.331 . . . . 10.0 110.107 179.376 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 469' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -76.07 35.77 0.46 Allowed 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.939 2.426 . . . . 10.0 112.968 -179.075 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -150.5 13.21 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 10.0 111.177 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 471' ' ' VAL . . . . . . . . . . . . . 8.3 p -118.29 132.8 23.61 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.584 -0.28 . . . . 10.0 110.577 -179.754 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 472' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -58.87 126.71 21.92 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.44 2.093 . . . . 10.0 112.095 178.455 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 473' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -56.77 -37.23 70.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.687 -0.688 . . . . 10.0 112.166 -178.772 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 474' ' ' HIS . . . . . . . . . . . . . 19.3 p-80 -65.96 -26.44 67.57 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.987 -0.285 . . . . 10.0 111.432 -179.411 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 475' ' ' LEU . . . . . 0.429 ' O ' ' HB3' ' D' ' 478' ' ' GLN . 25.7 mt -77.18 -32.01 55.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.365 . . . . 10.0 110.187 179.436 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 476' ' ' VAL . . . . . . . . . . . . . 23.2 t -69.17 -41.1 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.556 179.288 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 477' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.98 -26.43 68.57 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.476 -0.784 . . . . 10.0 110.571 179.21 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 478' ' ' GLN . . . . . 0.429 ' HB3' ' O ' ' D' ' 475' ' ' LEU . 0.0 OUTLIER -64.17 -53.11 54.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.585 179.668 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' D' D ' 479' ' ' ASP . . . . . 0.402 ' HB3' HG23 ' D' ' 489' ' ' THR . 11.5 t70 -69.92 -34.75 73.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.255 -0.429 . . . . 10.0 110.793 -179.166 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 480' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.67 -32.32 67.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.48 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 481' ' ' GLN . . . . . 0.405 ' HG2' HD13 ' D' ' 457' ' ' LEU . 45.7 mt-30 -88.04 -7.42 57.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.748 0.309 . . . . 10.0 111.239 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 482' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -100.07 -48.36 4.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.574 -0.285 . . . . 10.0 111.028 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 483' ' ' THR . . . . . . . . . . . . . 40.5 p -95.36 -35.43 11.77 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.449 -0.342 . . . . 10.0 111.307 -179.325 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 484' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.24 27.88 15.65 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.65 -0.705 . . . . 10.0 111.382 179.904 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 485' ' ' SER . . . . . . . . . . . . . 4.4 t -142.9 118.66 10.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.732 -0.667 . . . . 10.0 109.85 -179.847 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 486' ' ' VAL . . . . . . . . . . . . . 33.1 m -59.83 -31.27 47.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.986 -179.41 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 487' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -63.89 -47.67 79.72 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.787 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 488' ' ' ILE . . . . . 0.512 HG12 HD11 ' B' ' 73' ' ' LEU . 53.9 mt -73.25 -39.2 55.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.901 -179.809 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 489' ' ' THR . . . . . 0.416 ' O ' HG13 ' D' ' 493' ' ' ILE . 95.5 m -60.94 -47.57 85.8 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.048 0.388 . . . . 10.0 112.048 -179.216 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 490' ' ' THR . . . . . 0.458 HG21 HD11 ' B' ' 8' ' ' LEU . 4.5 p -64.12 -42.42 96.85 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.791 -0.364 . . . . 10.0 110.856 -179.601 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 491' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -65.51 -34.61 78.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.136 -0.484 . . . . 10.0 109.932 179.154 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 492' ' ' ASN . . . . . 0.422 ' HB3' ' HB3' ' D' ' 497' ' ' ARG . 35.4 m-20 -62.1 -37.8 86.44 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 115.385 -0.825 . . . . 10.0 110.748 179.075 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 493' ' ' ILE . . . . . 0.455 HG12 HD12 ' D' ' 498' ' ' ILE . 71.2 mt -69.19 -39.73 79.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.34 0.59 . . . . 10.0 109.654 178.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 494' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.14 36.07 0.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.346 -0.843 . . . . 10.0 110.969 179.617 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 495' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -149.78 -65.53 0.21 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.537 179.605 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 496' ' ' GLY . . . . . . . . . . . . . . . 145.17 39.47 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.744 -0.741 . . . . 10.0 113.074 179.528 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 497' ' ' ARG . . . . . 0.422 ' HB3' ' HB3' ' D' ' 492' ' ' ASN . 13.3 tpp180 -89.02 -35.55 16.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.233 0.54 . . . . 10.0 110.137 179.302 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 498' ' ' ILE . . . . . 0.455 HD12 HG12 ' D' ' 493' ' ' ILE . 52.9 mt -96.61 137.16 25.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.614 -0.721 . . . . 10.0 109.549 179.662 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 499' ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -69.98 116.09 9.95 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.274 -179.738 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 500' ' ' VAL . . . . . . . . . . . . . 36.0 m -62.85 155.19 72.55 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.217 -179.626 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 501' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -64.53 103.71 0.48 Allowed 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.622 2.215 . . . . 10.0 111.34 179.664 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 502' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -106.29 117.87 56.21 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.881 -178.877 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 503' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -65.38 110.73 1.65 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.439 2.093 . . . . 10.0 112.135 179.844 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 504' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.253 1.274 0 CA-C-O 117.655 -1.164 . . . . 10.0 109.235 -179.936 . . . . . . . . 0 0 . 1 stop_ save_